 Entering Gaussian System, Link 0=g16
 Input=31_naproxen_conformer03_STD_LCPBE_augccpVDZ.in
 Output=31_naproxen_conformer03_STD_LCPBE_augccpVDZ.log
 AtFile(1): /user/pierpa/basis_sets/augccpVDZ.gbs
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            ****
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            ****
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            ****
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            ****
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            ****
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            ****
            -Mn     0
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                  1.349768D+05          -8.570592D-06
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                  6.554800D-02           5.755741D-01
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            S    20   1.00
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                  5.931155D+05          -3.282099D-06
                  1.349768D+05          -1.667433D-05
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            S    1   1.00
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            ****
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                  5.188690D+01          -2.607900D-02
                  1.934190D+01          -1.082310D-01
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            ****
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                  8.715234D+05           6.647410D-05
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                  1.921470D-01           1.433224D-02
                  8.759500D-02          -6.671210D-03
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            S    20   1.00
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                  8.715234D+05           1.552973D-06
                  1.983350D+05           8.161259D-06
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                  8.759500D-02          -5.693429D-01
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                  8.715234D+05          -4.336894D-06
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            P    16   1.00
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                  1.876862D+03           1.440000D-04
                  7.182361D+02           6.450000D-04
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            P    16   1.00
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                  1.747518D+00           3.609760D-01
                  6.995600D-01           2.716570D-01
                  2.516080D-01           1.049810D-01
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                  6.144981D+01           2.617600D-02
                  2.305689D+01           1.113670D-01
                  9.577739D+00           3.045810D-01
                  4.133734D+00           3.862990D-01
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                  6.995600D-01          -5.388760D-01
                  2.516080D-01          -3.454730D-01
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                  1.461500D+00           7.546420D-01
            F    1   1.00
                  5.486100D-01           1.000000D+00
            ****
            -Ga     0
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                  7.271900D+04           1.604700D-03
                  1.655200D+04           8.340200D-03
                  4.687800D+03           3.402480D-02
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            S    14   1.00
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            S    14   1.00
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            D    1   1.00
                  0.0537000              1.0000000
            ****
            -Ge     0
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            ****
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            ****
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                  1.060579D+03           1.274240D-02
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                  1.289984D+02           2.085635D-01
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                  2.295942D+01           3.878103D-01
                  9.507300D+00           1.003820D-01
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                  1.750446D+00           2.713900D-03
                  5.291900D-01          -6.977000D-04
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            P    11   1.00
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                  1.060579D+03          -5.221200D-03
                  3.422081D+02          -2.684630D-02
                  1.289984D+02          -9.158230D-02
                  5.308722D+01          -1.968164D-01
                  2.295942D+01          -1.634750D-01
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                  4.083055D+00           5.981592D-01
                  1.750446D+00           2.750453D-01
                  5.291900D-01           1.277060D-02
                  1.643690D-01          -1.013500D-03
            P    11   1.00
                  4.474270D+03           1.701000D-04
                  1.060579D+03           1.406400D-03
                  3.422081D+02           7.396300D-03
                  1.289984D+02           2.482540D-02
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                  2.295942D+01           4.121320D-02
                  9.507300D+00          -8.760570D-02
                  4.083055D+00          -2.440586D-01
                  1.750446D+00          -2.950070D-02
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            P    1   1.00
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            D    5   1.00
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                  3.346525D+01           1.321620D-01
                  1.183046D+01           3.633484D-01
                  4.339771D+00           4.929582D-01
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            D    1   1.00
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            ****
            -Y     0
            S    7   1.00
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                 16.6827000             -0.0497340
                 10.4235000              0.1315590
                  3.0952600             -0.5243820
                  0.7079710              0.7863790
                  0.3225670              0.4639580
                  0.0690850              0.0204860
            S    7   1.00
                 29.2935000             -0.0013580
                 16.6827000              0.0123920
                 10.4235000             -0.0375720
                  3.0952600              0.1741090
                  0.7079710             -0.3385090
                  0.3225670             -0.3354170
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            S    7   1.00
                 29.2935000              0.0112420
                 16.6827000             -0.0574010
                 10.4235000              0.1106480
                  3.0952600             -0.3769430
                  0.7079710              1.2026360
                  0.3225670             -0.4875820
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            S    1   1.00
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            P    6   1.00
                  9.0271500              0.0203960
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                  0.4727970              0.4983480
                  0.2197340              0.1957420
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            P    6   1.00
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                  0.9906740             -0.1495270
                  0.4727970             -0.2243370
                  0.2197340             -0.0114700
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            P    6   1.00
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                  4.0242700             -0.0963010
                  0.9906740              0.2986850
                  0.4727970              0.8892190
                  0.2197340             -1.4854780
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            P    1   1.00
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            D    5   1.00
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                  0.5614050              0.2962740
                  0.2267020              0.3908730
                  0.0879490              0.3539610
            D    5   1.00
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                  1.3201900             -0.1499100
                  0.5614050             -0.3732930
                  0.2267020             -0.3129870
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            D    1   1.00
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            D    1   1.00
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            F    1   1.00
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            F    1   1.00
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            ****
            -Zr     0
            S    7   1.00
                 53.4460000              0.0014860
                 17.0981000             -0.0365920
                 10.6875000              0.1321550
                  3.3913400             -0.5464540
                  0.7884750              0.8022910
                  0.3599820              0.4583040
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            S    7   1.00
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                 17.0981000              0.0096310
                 10.6875000             -0.0390430
                  3.3913400              0.1847170
                  0.7884750             -0.3584690
                  0.3599820             -0.3208280
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            S    7   1.00
                 53.4460000              0.0028110
                 17.0981000             -0.0412920
                 10.6875000              0.1148910
                  3.3913400             -0.4348090
                  0.7884750              1.4174320
                  0.3599820             -0.7286190
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            S    1   1.00
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            S    1   1.00
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            P    6   1.00
                  9.9011600              0.0214360
                  4.4181900             -0.1604130
                  1.0931000              0.4543260
                  0.5187860              0.4991190
                  0.2363630              0.1777830
                  0.0847070              0.0104040
            P    6   1.00
                  9.9011600             -0.0058310
                  4.4181900              0.0481520
                  1.0931000             -0.1600800
                  0.5187860             -0.2201350
                  0.2363630              0.0355150
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            P    6   1.00
                  9.9011600             -0.0078290
                  4.4181900              0.0660080
                  1.0931000             -0.2113740
                  0.5187860             -0.3575490
                  0.2363630              0.1703870
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            P    1   1.00
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            P    1   1.00
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            D    5   1.00
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                  1.5708900              0.1278490
                  0.6923540              0.3219090
                  0.2904140              0.3998190
                  0.1158780              0.3194760
            D    5   1.00
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                  1.5708900             -0.1579890
                  0.6923540             -0.3979000
                  0.2904140             -0.2555990
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            D    1   1.00
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            D    1   1.00
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            F    1   1.00
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            F    1   1.00
                  0.0891000              1.0000000
            ****
            -Nb     0
            S    7   1.00
                 80.8096000              0.0008890
                 17.9220000             -0.0347930
                 11.2050000              0.1389100
                  3.6990100             -0.5655680
                  0.8712090              0.8147210
                  0.3974440              0.4547970
                  0.0854690              0.0200510
            S    7   1.00
                 80.8096000             -0.0002000
                 17.9220000              0.0093020
                 11.2050000             -0.0414910
                  3.6990100              0.1923710
                  0.8712090             -0.3713520
                  0.3974440             -0.3068350
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            S    7   1.00
                 80.8096000              0.0015640
                 17.9220000             -0.0382840
                 11.2050000              0.1209450
                  3.6990100             -0.4647790
                  0.8712090              1.5031600
                  0.3974440             -0.8262330
                  0.0854690             -1.5845850
            S    1   1.00
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            S    1   1.00
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            P    6   1.00
                 10.6457000              0.0234360
                  4.8235100             -0.1683110
                  1.2030900              0.4693810
                  0.5695080              0.4980520
                  0.2569700              0.1675400
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            P    6   1.00
                 10.6457000             -0.0064960
                  4.8235100              0.0513810
                  1.2030900             -0.1706080
                  0.5695080             -0.2198720
                  0.2569700              0.0561670
                  0.0929460              0.6165950
            P    6   1.00
                 10.6457000             -0.0091300
                  4.8235100              0.0732300
                  1.2030900             -0.2370360
                  0.5695080             -0.3685640
                  0.2569700              0.2364390
                  0.0929460              0.8267330
            P    1   1.00
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            P    1   1.00
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            D    5   1.00
                  4.5456300             -0.0104650
                  1.8272300              0.1305530
                  0.8257640              0.3347580
                  0.3551560              0.4020270
                  0.1447240              0.3008350
            D    5   1.00
                  4.5456300              0.0105280
                  1.8272300             -0.1615000
                  0.8257640             -0.4113720
                  0.3551560             -0.2117820
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            D    1   1.00
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            D    1   1.00
                  0.0204000              1.0000000
            F    1   1.00
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            F    1   1.00
                  0.1387000              1.0000000
            ****
            -Mo     0
            S    7   1.00
                106.9780000              0.0007350
                 18.8824000             -0.0350900
                 11.8077000              0.1473480
                  4.0211800             -0.5833630
                  0.9568160              0.8256350
                  0.4356920              0.4523110
                  0.0925180              0.0190550
            S    7   1.00
                106.9780000             -0.0001760
                 18.8824000              0.0093320
                 11.8077000             -0.0438110
                  4.0211800              0.1972320
                  0.9568160             -0.3773110
                  0.4356920             -0.2939670
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            S    7   1.00
                106.9780000              0.0011660
                 18.8824000             -0.0376070
                 11.8077000              0.1259800
                  4.0211800             -0.4752370
                  0.9568160              1.4989830
                  0.4356920             -0.8223450
                  0.0925180             -1.5606240
            S    1   1.00
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            S    1   1.00
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            P    6   1.00
                 11.4118000              0.0253450
                  5.2453500             -0.1752130
                  1.3188400              0.4812720
                  0.6229830              0.4972610
                  0.2791080              0.1595550
                  0.1005260              0.0075430
            P    6   1.00
                 11.4118000             -0.0070220
                  5.2453500              0.0533390
                  1.3188400             -0.1756430
                  0.6229830             -0.2162130
                  0.2791080              0.0679580
                  0.1005260              0.6128160
            P    6   1.00
                 11.4118000             -0.0104200
                  5.2453500              0.0798670
                  1.3188400             -0.2629000
                  0.6229830             -0.3651840
                  0.2791080              0.2866730
                  0.1005260              0.8002580
            P    1   1.00
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            P    1   1.00
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            D    5   1.00
                  5.2576100             -0.0147610
                  2.1046200              0.1319820
                  0.9582010              0.3470860
                  0.4140470              0.4054710
                  0.1684500              0.2880580
            D    5   1.00
                  5.2576100              0.0154390
                  2.1046200             -0.1606210
                  0.9582010             -0.4232290
                  0.4140470             -0.1923390
                  0.1684500              0.5314590
            D    1   1.00
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            D    1   1.00
                  0.0231000              1.0000000
            F    1   1.00
                  0.6007000              1.0000000
            F    1   1.00
                  0.1850000              1.0000000
            ****
            -Tc     0
            S    7   1.00
                132.6560000              0.0006860
                 19.8986000             -0.0360010
                 12.4450000              0.1564650
                  4.3605000             -0.5995730
                  1.0443600              0.8357100
                  0.4741590              0.4490550
                  0.0987360              0.0183780
            S    7   1.00
                132.6560000             -0.0001680
                 19.8986000              0.0093110
                 12.4450000             -0.0455350
                  4.3605000              0.1986020
                  1.0443600             -0.3749740
                  0.4741590             -0.2817600
                  0.0987360              0.6329980
            S    7   1.00
                132.6560000              0.0009800
                 19.8986000             -0.0378410
                 12.4450000              0.1317670
                  4.3605000             -0.4834180
                  1.0443600              1.4848540
                  0.4741590             -0.8047310
                  0.0987360             -1.5511910
            S    1   1.00
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            S    1   1.00
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            P    6   1.00
                 12.1789000              0.0273140
                  5.6848400             -0.1814030
                  1.4398300              0.4908910
                  0.6789090              0.4965410
                  0.3025150              0.1532990
                  0.1073070              0.0067000
            P    6   1.00
                 12.1789000             -0.0074300
                  5.6848400              0.0541370
                  1.4398300             -0.1762270
                  0.6789090             -0.2096540
                  0.3025150              0.0734980
                  0.1073070              0.6070490
            P    6   1.00
                 12.1789000             -0.0116300
                  5.6848400              0.0854050
                  1.4398300             -0.2844050
                  0.6789090             -0.3578760
                  0.3025150              0.3260330
                  0.1073070              0.7801240
            P    1   1.00
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            P    1   1.00
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            D    5   1.00
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                  2.3642400              0.1344070
                  1.0887100              0.3547260
                  0.4740600              0.4044790
                  0.1936070              0.2788770
            D    5   1.00
                  5.7601300              0.0169910
                  2.3642400             -0.1548960
                  1.0887100             -0.4281920
                  0.4740600             -0.1789920
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            D    1   1.00
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            D    1   1.00
                  0.0264000              1.0000000
            F    1   1.00
                  0.7228000              1.0000000
            F    1   1.00
                  0.2272000              1.0000000
            ****
            -Ru     0
            S    7   1.00
                159.3720000              0.0006730
                 20.9016000             -0.0371610
                 13.0741000              0.1665170
                  4.7147400             -0.6159540
                  1.1361200              0.8428300
                  0.5154640              0.4477630
                  0.1067670              0.0184450
            S    7   1.00
                159.3720000             -0.0001690
                 20.9016000              0.0093920
                 13.0741000             -0.0477130
                  4.7147400              0.2011130
                  1.1361200             -0.3734210
                  0.5154640             -0.2738590
                  0.1067670              0.6093840
            S    7   1.00
                159.3720000              0.0008950
                 20.9016000             -0.0396350
                 13.0741000              0.1442430
                  4.7147400             -0.5192870
                  1.1361200              1.5854040
                  0.5154640             -0.9082030
                  0.1067670             -1.4720020
            S    1   1.00
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            S    1   1.00
                  0.0144000              1.0000000
            P    6   1.00
                 12.8738000              0.0299680
                  6.1475000             -0.1879300
                  1.5652400              0.4999900
                  0.7361940              0.4957320
                  0.3263170              0.1475150
                  0.1124070              0.0060880
            P    6   1.00
                 12.8738000             -0.0078010
                  6.1475000              0.0536560
                  1.5652400             -0.1719400
                  0.7361940             -0.1991700
                  0.3263170              0.0744110
                  0.1124070              0.5971370
            P    6   1.00
                 12.8738000             -0.0135020
                  6.1475000              0.0937330
                  1.5652400             -0.3159100
                  0.7361940             -0.3618000
                  0.3263170              0.4008770
                  0.1124070              0.7537660
            P    1   1.00
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            P    1   1.00
                  0.0137000              1.0000000
            D    5   1.00
                  6.2126500             -0.0245970
                  2.7853900              0.1273340
                  1.2685100              0.3570810
                  0.5517900              0.4082070
                  0.2247310              0.2812400
            D    5   1.00
                  6.2126500              0.0261160
                  2.7853900             -0.1459400
                  1.2685100             -0.4425210
                  0.5517900             -0.1690200
                  0.2247310              0.5052370
            D    1   1.00
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            D    1   1.00
                  0.0302000              1.0000000
            F    1   1.00
                  0.8500000              1.0000000
            F    1   1.00
                  0.2719000              1.0000000
            ****
            -Rh     0
            S    7   1.00
                184.6660000              0.0006920
                 21.9974000             -0.0383930
                 13.7616000              0.1760190
                  5.0872000             -0.6299250
                  1.2294000              0.8495440
                  0.5568140              0.4457290
                  0.1140670              0.0182040
            S    7   1.00
                184.6660000             -0.0001780
                 21.9974000              0.0094560
                 13.7616000             -0.0494720
                  5.0872000              0.2018670
                  1.2294000             -0.3698090
                  0.5568140             -0.2653310
                  0.1140670              0.5891540
            S    7   1.00
                184.6660000              0.0008370
                 21.9974000             -0.0402860
                 13.7616000              0.1506490
                  5.0872000             -0.5268510
                  1.2294000              1.5723820
                  0.5568140             -0.8876430
                  0.1140670             -1.4709450
            S    1   1.00
                  0.0414150              1.0000000
            S    1   1.00
                  0.0150000              1.0000000
            P    6   1.00
                 13.6985000              0.0318210
                  6.6247600             -0.1930280
                  1.6961300              0.5062420
                  0.7973510              0.4949020
                  0.3520340              0.1440300
                  0.1233420              0.0056080
            P    6   1.00
                 13.6985000             -0.0085830
                  6.6247600              0.0568110
                  1.6961300             -0.1801720
                  0.7973510             -0.2034110
                  0.3520340              0.0848180
                  0.1233420              0.6010570
            P    6   1.00
                 13.6985000             -0.0151640
                  6.6247600              0.1011250
                  1.6961300             -0.3456410
                  0.7973510             -0.3454850
                  0.3520340              0.4221020
                  0.1233420              0.7304790
            P    1   1.00
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            P    1   1.00
                  0.0151000              1.0000000
            D    5   1.00
                 18.7370000              0.0064810
                 11.7046000             -0.0139420
                  2.2555800              0.2506820
                  0.9494110              0.4511110
                  0.3661640              0.3839990
            D    5   1.00
                 18.7370000             -0.0075900
                 11.7046000              0.0162940
                  2.2555800             -0.3347730
                  0.9494110             -0.4463960
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            D    1   1.00
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            D    1   1.00
                  0.0420000              1.0000000
            F    1   1.00
                  0.9936000              1.0000000
            F    1   1.00
                  0.3222000              1.0000000
            ****
            -Pd     0
            S    7   1.00
                208.1230000              0.0007270
                 22.8525000             -0.0409280
                 14.2986000              0.1922850
                  5.4880100             -0.6501040
                  1.3253200              0.8565530
                  0.5989570              0.4438760
                  0.1209830              0.0178500
            S    7   1.00
                208.1230000             -0.0001890
                 22.8525000              0.0098180
                 14.2986000             -0.0528760
                  5.4880100              0.2035110
                  1.3253200             -0.3639350
                  0.5989570             -0.2582190
                  0.1209830              0.5704320
            S    7   1.00
                208.1230000              0.0008000
                 22.8525000             -0.0417810
                 14.2986000              0.1593620
                  5.4880100             -0.5231230
                  1.3253200              1.4917730
                  0.5989570             -0.7916960
                  0.1209830             -1.5172540
            S    1   1.00
                  0.0434590              1.0000000
            S    1   1.00
                  0.0156000              1.0000000
            P    6   1.00
                 14.0509000              0.0379970
                  7.1390600             -0.2040770
                  1.8300700              0.5137680
                  0.8583350              0.4942400
                  0.3772750              0.1402910
                  0.1256960              0.0051570
            P    6   1.00
                 14.0509000             -0.0093130
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                  0.4340380             -0.3195670
                  0.1050310              0.6651050
            S    7   1.00
                 29.8670000              0.0324720
                 18.7203000             -0.1723550
                 11.7533000              0.3341840
                  4.5708900             -0.5725580
                  0.9478400              1.3652610
                  0.4340380             -0.6032250
                  0.1050310             -1.7315730
            S    1   1.00
                  0.0389480              1.0000000
            S    1   1.00
                  0.0144000              1.0000000
            P    6   1.00
                  7.3652400              0.1796820
                  4.7544000             -0.5211000
                  2.9959500              0.1911040
                  0.9941230              0.6464550
                  0.4196000              0.4240400
                  0.1182390              0.0425600
            P    6   1.00
                  7.3652400             -0.0508780
                  4.7544000              0.1495500
                  2.9959500             -0.0507540
                  0.9941230             -0.2483790
                  0.4196000             -0.1478010
                  0.1182390              0.5415390
            P    6   1.00
                  7.3652400             -0.0697670
                  4.7544000              0.2016550
                  2.9959500             -0.0482900
                  0.9941230             -0.4247200
                  0.4196000             -0.1275720
                  0.1182390              0.9415430
            P    1   1.00
                  0.0401010              1.0000000
            P    1   1.00
                  0.0136000              1.0000000
            D    5   1.00
                  7.5616000              0.0178690
                  4.7408700             -0.0661360
                  1.1697500              0.2554580
                  0.4793100              0.4454920
                  0.1837040              0.4029670
            D    5   1.00
                  7.5616000             -0.0205840
                  4.7408700              0.0780240
                  1.1697500             -0.3544000
                  0.4793100             -0.5155940
                  0.1837040              0.4207610
            D    1   1.00
                  0.0644090              1.0000000
            D    1   1.00
                  0.0226000              1.0000000
            F    1   1.00
                  0.3735000              1.0000000
            F    1   1.00
                  0.1286000              1.0000000
            ****
            -W     0
            S    7   1.00
                 31.1844000              0.0268990
                 19.5385000             -0.1892380
                 12.2602000              0.4339650
                  4.7203700             -0.8043720
                  1.0095700              0.9015400
                  0.4634560              0.4101950
                  0.1137920              0.0110440
            S    7   1.00
                 31.1844000             -0.0086330
                 19.5385000              0.0609770
                 12.2602000             -0.1418640
                  4.7203700              0.2797320
                  1.0095700             -0.4285050
                  0.4634560             -0.3050150
                  0.1137920              0.6713040
            S    7   1.00
                 31.1844000              0.0314780
                 19.5385000             -0.1676990
                 12.2602000              0.3282920
                  4.7203700             -0.5865250
                  1.0095700              1.4154490
                  0.4634560             -0.6488270
                  0.1137920             -1.6892530
            S    1   1.00
                  0.0416420              1.0000000
            S    1   1.00
                  0.0152000              1.0000000
            P    6   1.00
                  7.7873800              0.1852090
                  5.0493000             -0.5283120
                  3.1860200              0.1871580
                  1.0593700              0.6560130
                  0.4491060              0.4179250
                  0.1276250              0.0409650
            P    6   1.00
                  7.7873800             -0.0535080
                  5.0493000              0.1546790
                  3.1860200             -0.0504270
                  1.0593700             -0.2604500
                  0.4491060             -0.1384050
                  0.1276250              0.5459010
            P    6   1.00
                  7.7873800             -0.0749390
                  5.0493000              0.2120220
                  3.1860200             -0.0424460
                  1.0593700             -0.4793750
                  0.4491060             -0.0766750
                  0.1276250              0.9477960
            P    1   1.00
                  0.0427440              1.0000000
            P    1   1.00
                  0.0143000              1.0000000
            D    5   1.00
                  8.3098300              0.0219490
                  5.2246300             -0.0773760
                  1.2952900              0.2632410
                  0.5397610              0.4595460
                  0.2089270              0.3922120
            D    5   1.00
                  8.3098300             -0.0263810
                  5.2246300              0.0952520
                  1.2952900             -0.3960520
                  0.5397610             -0.5079960
                  0.2089270              0.5236000
            D    1   1.00
                  0.0731130              1.0000000
            D    1   1.00
                  0.0256000              1.0000000
            F    1   1.00
                  0.4769000              1.0000000
            F    1   1.00
                  0.1768000              1.0000000
            ****
            -Re     0
            S    7   1.00
                 33.0133000              0.0221330
                 20.6658000             -0.1618310
                 12.9498000              0.3812300
                  4.7782300             -0.7875220
                  1.0858000              0.8980810
                  0.5000250              0.4224690
                  0.1210690              0.0172060
            S    7   1.00
                 33.0133000             -0.0070680
                 20.6658000              0.0530520
                 12.9498000             -0.1282310
                  4.7782300              0.2853960
                  1.0858000             -0.4487810
                  0.5000250             -0.2976680
                  0.1210690              0.6634730
            S    7   1.00
                 33.0133000              0.0274240
                 20.6658000             -0.1468310
                 12.9498000              0.2908580
                  4.7782300             -0.5801000
                  1.0858000              1.4204980
                  0.5000250             -0.6321790
                  0.1210690             -1.6875030
            S    1   1.00
                  0.0438810              1.0000000
            S    1   1.00
                  0.0159000              1.0000000
            P    6   1.00
                  8.6759800              0.1394900
                  5.6538200             -0.3569770
                  1.4063900              0.4818040
                  0.6920560              0.5117960
                  0.3163520              0.1708180
                  0.1093090              0.0097820
            P    6   1.00
                  8.6759800             -0.0412390
                  5.6538200              0.1083450
                  1.4063900             -0.1688840
                  0.6920560             -0.2386860
                  0.3163520              0.0632430
                  0.1093090              0.6102210
            P    6   1.00
                  8.6759800             -0.0651350
                  5.6538200              0.1725300
                  1.4063900             -0.2649320
                  0.6920560             -0.4743410
                  0.3163520              0.3991830
                  0.1093090              0.8030920
            P    1   1.00
                  0.0385810              1.0000000
            P    1   1.00
                  0.0136000              1.0000000
            D    5   1.00
                  8.6719700              0.0171910
                  5.4414200             -0.0665390
                  1.3750800              0.2711570
                  0.5838300              0.4487710
                  0.2293620              0.3778590
            D    5   1.00
                  8.6719700             -0.0203340
                  5.4414200              0.0775390
                  1.3750800             -0.3686920
                  0.5838300             -0.4745880
                  0.2293620              0.4599950
            D    1   1.00
                  0.0808850              1.0000000
            D    1   1.00
                  0.0285000              1.0000000
            F    1   1.00
                  0.5533000              1.0000000
            F    1   1.00
                  0.2126000              1.0000000
            ****
            -Os     0
            S    7   1.00
                 34.5933000              0.0194050
                 21.6442000             -0.1468750
                 13.5521000              0.3551890
                  4.8950800             -0.7883690
                  1.1634600              0.9033000
                  0.5380840              0.4302560
                  0.1306730              0.0181640
            S    7   1.00
                 34.5933000             -0.0059240
                 21.6442000              0.0475810
                 13.5521000             -0.1198590
                  4.8950800              0.2905900
                  1.1634600             -0.4633260
                  0.5380840             -0.2910580
                  0.1306730              0.6489970
            S    7   1.00
                 34.5933000              0.0286790
                 21.6442000             -0.1533520
                 13.5521000              0.3066570
                  4.8950800             -0.6590400
                  1.1634600              1.6880660
                  0.5380840             -0.9098660
                  0.1306730             -1.5178370
            S    1   1.00
                  0.0469820              1.0000000
            S    1   1.00
                  0.0169000              1.0000000
            P    6   1.00
                  9.1259400              0.1316100
                  5.8907300             -0.3487910
                  1.4397800              0.5276330
                  0.6929760              0.5000040
                  0.3084380              0.1387070
                  0.1086800              0.0055910
            P    6   1.00
                  9.1259400             -0.0379630
                  5.8907300              0.1036120
                  1.4397800             -0.1857190
                  0.6929760             -0.2213770
                  0.3084380              0.0960590
                  0.1086800              0.6029380
            P    6   1.00
                  9.1259400             -0.0676070
                  5.8907300              0.1858450
                  1.4397800             -0.3480470
                  0.6929760             -0.4511480
                  0.3084380              0.5586130
                  0.1086800              0.7068530
            P    1   1.00
                  0.0381830              1.0000000
            P    1   1.00
                  0.0134000              1.0000000
            D    5   1.00
                  9.3395000              0.0158420
                  5.8557100             -0.0635100
                  1.4647600              0.2828700
                  0.6312200              0.4507810
                  0.2506620              0.3664550
            D    5   1.00
                  9.3395000             -0.0209240
                  5.8557100              0.0807150
                  1.4647600             -0.4242800
                  0.6312200             -0.4620180
                  0.2506620              0.5555660
            D    1   1.00
                  0.0891640              1.0000000
            D    1   1.00
                  0.0317000              1.0000000
            F    1   1.00
                  0.6278000              1.0000000
            F    1   1.00
                  0.2478000              1.0000000
            ****
            -Ir     0
            S    7   1.00
                 36.0577000              0.0172890
                 22.5516000             -0.1359910
                 14.1116000              0.3386690
                  5.0447500             -0.7941690
                  1.2441700              0.9080010
                  0.5769240              0.4378070
                  0.1394660              0.0187690
            S    7   1.00
                 36.0577000             -0.0049480
                 22.5516000              0.0431240
                 14.1116000             -0.1138030
                  5.0447500              0.2953180
                  1.2441700             -0.4732180
                  0.5769240             -0.2840000
                  0.1394660              0.6351880
            S    7   1.00
                 36.0577000              0.0290550
                 22.5516000             -0.1546790
                 14.1116000              0.3116730
                  5.0447500             -0.7039290
                  1.2441700              1.8161160
                  0.5769240             -1.0291110
                  0.1394660             -1.4393180
            S    1   1.00
                  0.0497400              1.0000000
            S    1   1.00
                  0.0177000              1.0000000
            P    6   1.00
                  9.5858000              0.1256510
                  6.1408800             -0.3433060
                  1.4976000              0.5536780
                  0.7141440              0.4910420
                  0.3120660              0.1228370
                  0.1151600              0.0033780
            P    6   1.00
                  9.5858000             -0.0379390
                  6.1408800              0.1069870
                  1.4976000             -0.2083670
                  0.7141440             -0.2217720
                  0.3120660              0.1266520
                  0.1151600              0.6103680
            P    6   1.00
                  9.5858000             -0.0740030
                  6.1408800              0.2101790
                  1.4976000             -0.4612670
                  0.7141440             -0.3768670
                  0.3120660              0.6521120
                  0.1151600              0.6073860
            P    1   1.00
                  0.0412770              1.0000000
            P    1   1.00
                  0.0148000              1.0000000
            D    5   1.00
                  9.9606900              0.0154630
                  6.2430300             -0.0631200
                  1.5631700              0.2923090
                  0.6819400              0.4527480
                  0.2734460              0.3571590
            D    5   1.00
                  9.9606900             -0.0198010
                  6.2430300              0.0777020
                  1.5631700             -0.4252400
                  0.6819400             -0.4331870
                  0.2734460              0.4752470
            D    1   1.00
                  0.0980080              1.0000000
            D    1   1.00
                  0.0351000              1.0000000
            F    1   1.00
                  0.7127000              1.0000000
            F    1   1.00
                  0.2898000              1.0000000
            ****
            -Pt     0
            S    7   1.00
                 37.3750000              0.0156980
                 23.3685000             -0.1285150
                 14.6164000              0.3299960
                  5.2209620             -0.8039770
                  1.3267320              0.9127650
                  0.6163210              0.4444260
                  0.1480680              0.0192250
            S    7   1.00
                 37.3750000             -0.0041400
                 23.3685000              0.0396870
                 14.6164000             -0.1100630
                  5.2209620              0.3003960
                  1.3267320             -0.4809750
                  0.6163210             -0.2769970
                  0.1480680              0.6216130
            S    7   1.00
                 37.3750000              0.0303040
                 23.3685000             -0.1595530
                 14.6164000              0.3222870
                  5.2209620             -0.7469090
                  1.3267320              1.9183060
                  0.6163210             -1.1164460
                  0.1480680             -1.3836520
            S    1   1.00
                  0.0523910              1.0000000
            S    1   1.00
                  0.0185000              1.0000000
            P    6   1.00
                  9.9926800              0.1240460
                  6.3831700             -0.3446320
                  1.5696500              0.5711200
                  0.7427790              0.4873560
                  0.3180200              0.1119590
                  0.1141460              0.0019280
            P    6   1.00
                  9.9926800             -0.0346870
                  6.3831700              0.0999320
                  1.5696500             -0.2018840
                  0.7427790             -0.1984590
                  0.3180200              0.1230340
                  0.1141460              0.5955770
            P    6   1.00
                  9.9926800             -0.0771530
                  6.3831700              0.2234940
                  1.5696500             -0.5228040
                  0.7427790             -0.3298980
                  0.3180200              0.7297730
                  0.1141460              0.5372880
            P    1   1.00
                  0.0398630              1.0000000
            P    1   1.00
                  0.0139000              1.0000000
            D    5   1.00
                 10.4126000              0.0150800
                  6.5226600             -0.0622950
                  1.6643000              0.3006490
                  0.7342080              0.4539610
                  0.2974070              0.3490010
            D    5   1.00
                 10.4126000             -0.0198660
                  6.5226600              0.0796630
                  1.6643000             -0.4687940
                  0.7342080             -0.4051740
                  0.2974070              0.5192890
            D    1   1.00
                  0.1075990              1.0000000
            D    1   1.00
                  0.0389000              1.0000000
            F    1   1.00
                  0.8018000              1.0000000
            F    1   1.00
                  0.3357000              1.0000000
            ****
            -Au     0
            S    8   1.00
                 38.0008000              0.0200090
                 23.9725000             -0.1516790
                 15.2182000              0.3639600
                  5.5399900             -0.8213260
                  1.3855100              0.9366410
                  0.6424610              0.4235270
                  0.1564960              0.0162500
                  0.0549100             -0.0009780
            S    8   1.00
                 38.0008000             -0.0053040
                 23.9725000              0.0463180
                 15.2182000             -0.1199400
                  5.5399900              0.3040620
                  1.3855100             -0.4945010
                  0.6424610             -0.2555160
                  0.1564960              0.6091630
                  0.0549100              0.5977670
            S    8   1.00
                 38.0008000              0.0323400
                 23.9725000             -0.1717620
                 15.2182000              0.3395030
                  5.5399900             -0.7461790
                  1.3855100              1.9174980
                  0.6424610             -1.1299310
                  0.1564960             -1.3662840
                  0.0549100              1.4423910
            S    1   1.00
                  0.0549100              1.0000000
            S    1   1.00
                  0.0193000              1.0000000
            P    7   1.00
                 10.3092000              0.1282170
                  6.6276500             -0.3537900
                  1.6744700              0.5662110
                  0.8011160              0.4931710
                  0.3468790              0.1137750
                  0.1227010              0.0025340
                  0.0424280              0.0006790
            P    7   1.00
                 10.3092000             -0.0358850
                  6.6276500              0.1028900
                  1.6744700             -0.2009880
                  0.8011160             -0.2010450
                  0.3468790              0.1165490
                  0.1227010              0.5949690
                  0.0424280              0.4555200
            P    7   1.00
                 10.3092000             -0.0772420
                  6.6276500              0.2226110
                  1.6744700             -0.4953530
                  0.8011160             -0.3607470
                  0.3468790              0.7100000
                  0.1227010              0.5688390
                  0.0424280              0.0011930
            P    1   1.00
                  0.0424280              1.0000000
            P    1   1.00
                  0.0147000              1.0000000
            D    6   1.00
                 11.0027000              0.0164670
                  6.8916600             -0.0680130
                  1.8080800              0.2994920
                  0.8210510              0.4543030
                  0.3441610              0.3442240
                  0.1297430              0.1212560
            D    6   1.00
                 11.0027000             -0.0236280
                  6.8916600              0.0956720
                  1.8080800             -0.5412940
                  0.8210510             -0.3955330
                  0.3441610              0.6191650
                  0.1297430              0.4682760
            D    1   1.00
                  0.1297430              1.0000000
            D    1   1.00
                  0.0489000              1.0000000
            F    1   1.00
                  0.8919000              1.0000000
            F    1   1.00
                  0.3789000              1.0000000
            ****
            -Hg     0
            S    8   1.00
                 41.4804000              0.0100720
                 22.5328000             -0.1147810
                 14.0790000              0.3564080
                  5.7247400             -0.8484430
                  1.4794800              0.9405960
                  0.6882660              0.4353290
                  0.1641810              0.0131780
                  0.0572230             -0.0023140
            S    8   1.00
                 41.4804000              0.0020320
                 22.5328000             -0.0323140
                 14.0790000              0.1153500
                  5.7247400             -0.3177630
                  1.4794800              0.5135230
                  0.6882660              0.2500500
                  0.1641810             -0.6488410
                  0.0572230             -0.5599430
            S    8   1.00
                 41.4804000              0.0218280
                 22.5328000             -0.1555640
                 14.0790000              0.3860250
                  5.7247400             -0.8961040
                  1.4794800              2.3321950
                  0.6882660             -1.5976600
                  0.1641810             -1.0536460
                  0.0572230              1.2895360
            S    1   1.00
                  0.0572230              1.0000000
            S    1   1.00
                  0.0199000              1.0000000
            P    7   1.00
                 10.5805000              0.1286920
                  6.8053900             -0.3608420
                  1.7901600              0.5641170
                  0.8622610              0.5002740
                  0.3752770              0.1137850
                  0.1284210              0.0029390
                  0.0434470              0.0004880
            P    7   1.00
                 10.5805000             -0.0344430
                  6.8053900              0.1009290
                  1.7901600             -0.1924390
                  0.8622610             -0.1960690
                  0.3752770              0.1042040
                  0.1284210              0.5873870
                  0.0434470              0.4727830
            P    7   1.00
                 10.5805000              0.0714680
                  6.8053900             -0.2108590
                  1.7901600              0.4452040
                  0.8622610              0.3916080
                  0.3752770             -0.6670830
                  0.1284210             -0.6195740
                  0.0434470             -0.0009090
            P    1   1.00
                  0.0434470              1.0000000
            P    1   1.00
                  0.0147000              1.0000000
            D    6   1.00
                 11.5841000              0.0167290
                  7.2487900             -0.0695580
                  1.9366200              0.3034370
                  0.8987480              0.4548780
                  0.3869310              0.3368080
                  0.1504660              0.1130160
            D    6   1.00
                 11.5841000             -0.0249840
                  7.2487900              0.1041030
                  1.9366200             -0.6169860
                  0.8987480             -0.3538260
                  0.3869310              0.6872800
                  0.1504660              0.3930900
            D    1   1.00
                  0.1504660              1.0000000
            D    1   1.00
                  0.0585000              1.0000000
            F    1   1.00
                  0.9974000              1.0000000
            F    1   1.00
                  0.4377000              1.0000000
            ****
            -Tl     0
            S    8   1.00
                 36.1096000              0.0229790
                 22.5732000             -0.1728970
                 14.1144000              0.4807030
                  6.1597600             -0.9532140
                  1.5706900              0.9608670
                  0.7459610              0.4319720
                  0.1958840              0.0131990
                  0.0710030             -0.0021060
            S    8   1.00
                 36.1096000              0.0059010
                 22.5732000             -0.0544410
                 14.1144000              0.1709120
                  6.1597600             -0.3868060
                  1.5706900              0.5717530
                  0.7459610              0.2895580
                  0.1958840             -0.7163850
                  0.0710030             -0.5289600
            S    1   1.00
                  0.1958840              1.0000000
            S    1   1.00
                  0.0710030              1.0000000
            S    1   1.00
                  0.0206000              1.0000000
            P    6   1.00
                 10.3856000              0.1621170
                  7.0093900             -0.4046950
                  1.7768800              0.6949780
                  0.7479420              0.4664960
                  0.1768080              0.0280130
                  0.0515320             -0.0041730
            P    6   1.00
                 10.3856000             -0.0391990
                  7.0093900              0.1017260
                  1.7768800             -0.2199420
                  0.7479420             -0.1194500
                  0.1768080              0.4597680
                  0.0515320              0.6763890
            P    1   1.00
                  0.0515320              1.0000000
            P    1   1.00
                  0.0130000              1.0000000
            D    6   1.00
                 10.9087000              0.0217120
                  6.8364900             -0.0832690
                  1.9974900              0.3418070
                  0.9144720              0.4833160
                  0.3895180              0.3047550
                  0.1501000              0.0649830
            D    1   1.00
                  0.1501000              1.0000000
            D    1   1.00
                  0.0437000              1.0000000
            ****
            -Pb     0
            S    8   1.00
                 37.4583000              0.0248240
                 23.3170000             -0.1810620
                 14.5759000              0.5007060
                  6.4337600             -0.9797370
                  1.6671900              0.9666300
                  0.8077320              0.4364870
                  0.2270840              0.0136860
                  0.0842520             -0.0020210
            S    8   1.00
                 37.4583000              0.0067850
                 23.3170000             -0.0601870
                 14.5759000              0.1889710
                  6.4337600             -0.4248380
                  1.6671900              0.6220350
                  0.8077320              0.3160880
                  0.2270840             -0.7594740
                  0.0842520             -0.5151310
            S    1   1.00
                  0.2270840              1.0000000
            S    1   1.00
                  0.0842520              1.0000000
            S    1   1.00
                  0.0278000              1.0000000
            P    6   1.00
                 10.6186000              0.1701740
                  7.1878100             -0.4241790
                  1.8943900              0.6934430
                  0.8167090              0.4737730
                  0.2036880              0.0290470
                  0.0649730             -0.0043860
            P    6   1.00
                 10.6186000             -0.0479540
                  7.1878100              0.1245560
                  1.8943900             -0.2597760
                  0.8167090             -0.1414800
                  0.2036880              0.5317690
                  0.0649730              0.6087590
            P    1   1.00
                  0.0649730              1.0000000
            P    1   1.00
                  0.0197000              1.0000000
            D    6   1.00
                 13.7266000              0.0107870
                  6.9898300             -0.0666500
                  2.1735200              0.3342590
                  1.0281200              0.4826840
                  0.4558570              0.3004140
                  0.1822000              0.0632580
            D    1   1.00
                  0.1822000              1.0000000
            D    1   1.00
                  0.0609000              1.0000000
            ****
            -Bi     0
            S    8   1.00
                211.8210000              0.0010880
                 21.3262000             -0.1058620
                 13.3654000              0.5308080
                  6.9461000             -1.0502650
                  1.7122900              0.9958560
                  0.8391070              0.3989520
                  0.2553640              0.0117780
                  0.0967000             -0.0014700
            S    8   1.00
                211.8210000              0.0004220
                 21.3262000             -0.0385370
                 13.3654000              0.2172380
                  6.9461000             -0.4810970
                  1.7122900              0.7015950
                  0.8391070              0.2905200
                  0.2553640             -0.7997780
                  0.0967000             -0.4961310
            S    1   1.00
                  0.2553640              1.0000000
            S    1   1.00
                  0.0967000              1.0000000
            S    1   1.00
                  0.0317000              1.0000000
            P    6   1.00
                 11.0644000              0.1672490
                  7.4500000             -0.4252620
                  2.0106900              0.6925250
                  0.8883210              0.4753740
                  0.2363690              0.0298590
                  0.0792900             -0.0044930
            P    6   1.00
                 11.0644000             -0.0522010
                  7.4500000              0.1390830
                  2.0106900             -0.2935560
                  0.8883210             -0.1585740
                  0.2363690              0.5743620
                  0.0792900              0.5726780
            P    1   1.00
                  0.0792900              1.0000000
            P    1   1.00
                  0.0254000              1.0000000
            D    6   1.00
                 16.2461000              0.0078080
                  6.9836300             -0.0668310
                  2.3747600              0.3241400
                  1.1537200              0.4858310
                  0.5259740              0.3010560
                  0.2151000              0.0631960
            D    1   1.00
                  0.2151000              1.0000000
            D    1   1.00
                  0.0745000              1.0000000
            ****
            -Po     0
            S    8   1.00
                295.3900000              0.0013830
                 21.2683000             -0.1050610
                 13.3379000              0.5914250
                  7.3652100             -1.1156970
                  1.7892000              1.0191620
                  0.8849940              0.3798790
                  0.2857870              0.0107810
                  0.1093240             -0.0011440
            S    8   1.00
                295.3900000              0.0006830
                 21.2683000             -0.0385730
                 13.3379000              0.2519580
                  7.3652100             -0.5330160
                  1.7892000              0.7669010
                  0.8849940              0.2818780
                  0.2857870             -0.8394770
                  0.1093240             -0.4792720
            S    1   1.00
                  0.2857870              1.0000000
            S    1   1.00
                  0.1093240              1.0000000
            S    1   1.00
                  0.0359000              1.0000000
            P    6   1.00
                 11.5069000              0.1663640
                  7.7299100             -0.4272350
                  2.1189400              0.6969640
                  0.9553230              0.4713590
                  0.2683520              0.0299870
                  0.0884940             -0.0034870
            P    6   1.00
                 11.5069000             -0.0559100
                  7.7299100              0.1511230
                  2.1189400             -0.3261600
                  0.9553230             -0.1614090
                  0.2683520              0.6016150
                  0.0884940              0.5559720
            P    1   1.00
                  0.0884940              1.0000000
            P    1   1.00
                  0.0278000              1.0000000
            D    6   1.00
                 18.7130000              0.0066940
                  7.0570800             -0.0671040
                  2.5506200              0.3257980
                  1.2506900              0.4957630
                  0.5742560              0.2931060
                  0.2330000              0.0541620
            D    1   1.00
                  0.2330000              1.0000000
            D    1   1.00
                  0.0895000              1.0000000
            ****
            -At     0
            S    8   1.00
                304.0310000              0.0010310
                 22.4085000             -0.1018690
                 14.0490000              0.5632730
                  7.5895000             -1.1045120
                  1.8949400              1.0263640
                  0.9523580              0.3833240
                  0.3170410              0.0113590
                  0.1224900             -0.0011400
            S    8   1.00
                304.0310000              0.0004960
                 22.4085000             -0.0387430
                 14.0490000              0.2490070
                  7.5895000             -0.5516910
                  1.8949400              0.8155580
                  0.9523580              0.2868020
                  0.3170410             -0.8682780
                  0.1224900             -0.4694960
            S    1   1.00
                  0.3170410              1.0000000
            S    1   1.00
                  0.1224900              1.0000000
            S    1   1.00
                  0.0404000              1.0000000
            P    6   1.00
                 12.0093000              0.1631810
                  8.0330000             -0.4244130
                  2.2239300              0.7031340
                  1.0213300              0.4641680
                  0.3012660              0.0302600
                  0.0999030             -0.0026180
            P    6   1.00
                 12.0093000             -0.0583630
                  8.0330000              0.1606310
                  2.2239300             -0.3589420
                  1.0213300             -0.1621230
                  0.3012660              0.6248880
                  0.0999030              0.5397840
            P    1   1.00
                  0.0999030              1.0000000
            P    1   1.00
                  0.0313000              1.0000000
            D    6   1.00
                 21.3084000              0.0061410
                  7.0207600             -0.0706690
                  2.7689800              0.3190200
                  1.3731400              0.5044700
                  0.6368040              0.2924810
                  0.2593000              0.0514950
            D    1   1.00
                  0.2593000              1.0000000
            D    1   1.00
                  0.1073000              1.0000000
            ****
            -Rn     0
            S    8   1.00
                383.5850000              0.0015720
                 23.2936000             -0.0761810
                 14.6096000              0.4785080
                  7.7319900             -1.0439020
                  1.9942400              1.0190710
                  1.0240700              0.3914520
                  0.3454220              0.0127820
                  0.1350810             -0.0012970
            S    8   1.00
                383.5850000              0.0009020
                 23.2936000             -0.0265350
                 14.6096000              0.2148510
                  7.7319900             -0.5453780
                  1.9942400              0.8694020
                  1.0240700              0.2728620
                  0.3454220             -0.8929670
                  0.1350810             -0.4539150
            S    1   1.00
                  0.3454220              1.0000000
            S    1   1.00
                  0.1350810              1.0000000
            S    1   1.00
                  0.0449000              1.0000000
            P    6   1.00
                 12.4992000              0.1629940
                  8.3397600             -0.4262290
                  2.3359100              0.7107760
                  1.0901900              0.4580860
                  0.3348980              0.0292130
                  0.1125460             -0.0031070
            P    6   1.00
                 12.4992000             -0.0609340
                  8.3397600              0.1694830
                  2.3359100             -0.3880550
                  1.0901900             -0.1612760
                  0.3348980              0.6446740
                  0.1125460              0.5255260
            P    1   1.00
                  0.1125460              1.0000000
            P    1   1.00
                  0.0348000              1.0000000
            D    6   1.00
                 24.1705000              0.0058780
                  6.9459900             -0.0765200
                  3.0380900              0.3071660
                  1.5168400              0.5141680
                  0.7091570              0.2972850
                  0.2888000              0.0512000
            D    1   1.00
                  0.2888000              1.0000000
            D    1   1.00
                  0.1251000              1.0000000
            ****
            
            -Y     0
            Y-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2      7.85827500           135.13497400
            2      3.38212800            15.41163200
            p-g potential
              4
            2      6.84979100            29.25143700
            2      6.71009200            58.50836300
            2      3.04215900             3.78024300
            2      2.93733000             7.67654700
            d-g potential
              4
            2      5.41631500            11.84991100
            2      5.33341600            17.77810300
            2      1.97621200             2.06238300
            2      1.96111100             3.07565000
            f-g potential
              2
            2      5.02859000            -6.92807800
            2      5.00558200            -9.15509900
            -ZR     0
            ZR-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2      8.63652800           150.24299400
            2      3.71763900            18.78003600
            p-g potential
              4
            2      7.62672800            33.19279100
            2      7.45320700            66.38903900
            2      3.35838900             4.62072600
            2      3.22973800             9.26027000
            d-g potential
              4
            2      5.93808600            13.99338300
            2      5.82554400            20.99588200
            2      2.20501900             2.28516600
            2      2.20629200             3.44126000
            f-g potential
              2
            2      4.80021500            -5.23932000
            2      4.79899200            -6.98742400
            -NB     0
            NB-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2      9.37657800           165.15673600
            2      4.04357200            21.82395100
            p-g potential
              4
            2      8.36360900            37.24928400
            2      8.16689800            74.50738900
            2      3.69307500             5.43948600
            2      3.55104700            10.91325200
            d-g potential
              4
            2      6.68910800            15.21454900
            2      6.53719300            22.83350800
            2      2.55111800             3.00005200
            2      2.56789600             4.55373400
            f-g potential
              2
            2      5.56828500            -6.28135400
            2      5.67137200            -8.75564400
            -MO     0
            MO-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     10.09700000           180.07685300
            2      4.37567000            24.71592000
            p-g potential
              4
            2      9.12656400            41.22767800
            2      8.86322300            82.45267000
            2      4.04494800             6.34509200
            2      3.86665700            12.45842300
            d-g potential
              4
            2      7.53575400            19.30874400
            2      7.27897600            28.97767400
            2      2.76320500             3.18951600
            2      2.77208500             4.70016900
            f-g potential
              2
            2      6.30663300            -7.17888800
            2      6.35644800            -9.74597800
            -TC     0
            TC-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     10.79936900           195.09130300
            2      4.70725700            27.34041300
            p-g potential
              4
            2      9.82669900            45.06081200
            2      9.56111500            90.11729500
            2      4.37857800             7.07051700
            2      4.19090700            14.04801900
            d-g potential
              4
            2      8.33604500            21.65775500
            2      8.24453300            32.47195900
            2      3.09370700             3.78952500
            2      3.16872200             6.05343000
            f-g potential
              2
            2      7.04094000            -7.99562300
            2      7.06947300           -10.74569600
            -RU     0
            RU-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     11.50059000           209.78649300
            2      5.06857500            30.21430700
            p-g potential
              4
            2     10.53263400            48.75124400
            2     10.19201000            97.49652900
            2      4.73489200             7.86018800
            2      4.50906500            15.32975100
            d-g potential
              4
            2      8.87797700            26.96750600
            2      8.76612200            40.43230300
            2      3.17019600             3.34075800
            2      3.22885100             5.25635200
            f-g potential
              2
            2      7.82024900            -8.84752500
            2      7.83964700           -11.83551800
            -RH     0
            RH-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     12.19481600           225.31205400
            2      5.40513700            32.44158200
            p-g potential
              4
            2     11.28075500            52.87282600
            2     10.92724800           105.74552600
            2      5.09011700             8.61934400
            2      4.85183200            16.97345900
            d-g potential
              4
            2      9.13633700            25.10850100
            2      8.96480800            37.69573100
            2      3.64361200             4.20258400
            2      3.63600700             6.29279000
            f-g potential
              2
            2      8.61622800            -9.67356800
            2      8.62943500           -12.89984700
            -PD     0
            PD-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     12.79882500           240.26278900
            2      5.80052800            34.72996100
            p-g potential
              4
            2     11.87469700            56.74692900
            2     11.47433500           113.44441700
            2      5.51599900             9.34563900
            2      5.24804300            18.34544700
            d-g potential
              4
            2      8.50221200            28.59555400
            2      7.98332400            43.45392100
            2      3.10762800             1.85228600
            2      2.47673400             1.40676500
            f-g potential
              2
            2      9.67957100           -10.98725500
            2      9.69134900           -14.62619000
            -AG     0
            AG-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     12.5677140            255.0547710
            2      6.9976620             36.9833930
            p-g potential
              4
            2     11.3164960             60.7157050
            2     10.9580630            121.4438890
            2      7.1114000             10.1718660
            2      6.7733190             20.4865640
            d-g potential
              4
            2      8.9284370             29.5049380
            2     11.1025670             44.0187360
            2      5.5432120              5.3683330
            2      3.9288350              7.4083750
            f-g potential
              2
            2     11.0129130            -12.6234030
            2     11.0198980            -16.7643270
            -CD     0
            CD-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     13.3551760            270.0394480
            2      7.3083780             38.8777660
            p-g potential
              4
            2     12.6597280             64.6074700
            2     12.2896390            129.2194450
            2      6.7861760             10.6225580
            2      6.4007430             21.2650460
            d-g potential
              4
            2     11.1617220             31.6639650
            2     11.2196150             47.4892160
            2      4.5377330              5.1862000
            2      4.3357270              7.5660630
            f-g potential
              2
            2     11.4789860            -12.6327850
            2     11.4870270            -16.7601710
            -IN     0
            IN-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     15.3928220            281.1223500
            2      8.0558640             61.9014700
            p-g potential
              4
            2     13.9286720             67.4621540
            2     13.3472340            134.9492500
            2      7.6141320             14.7461400
            2      7.3183650             29.6392620
            d-g potential
              4
            2     14.0347150             35.4932540
            2     14.5116160             53.1787730
            2      5.5505500              9.1772810
            2      5.0594150             12.3924100
            f-g potential
              2
            2     12.5390560            -13.7280780
            2     12.5525610            -18.2068660
            -SN     0
            SN-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     17.4204140            279.9886820
            2      7.6311550             62.3778100
            p-g potential
              4
            2     16.1310240             66.1625230
            2     15.6280770            132.1743960
            2      7.3256080             16.3394170
            2      6.9425190             32.4889590
            d-g potential
              4
            2     15.5149760             36.3874410
            2     15.1881600             54.5078410
            2      5.4560240              8.6968230
            2      5.3631050             12.8402080
            f-g potential
              2
            2     12.2823480            -12.5763330
            2     12.2721500            -16.5959440
            -SB     0
            SB-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     16.3308650            281.0715810
            2      8.5565420             61.7166040
            p-g potential
              4
            2     14.4703370             67.4573800
            2     13.8161940            134.9335030
            2      8.4249240             14.7163440
            2      8.0927280             29.5185120
            d-g potential
              4
            2     14.8863310             35.4478150
            2     15.1463190             53.1434660
            2      5.9082670              9.1792230
            2      5.5943220             13.2402530
            f-g potential
              2
            2     14.4449780            -15.3668010
            2     14.4492950            -20.2961380
            -TE     0
            TE-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     16.8144730            281.0458430
            2      8.7935260             61.6206560
            p-g potential
              4
            2     14.8778010             67.4494640
            2     14.2697310            134.9043040
            2      8.7244350             14.6895470
            2      8.2915150             29.4150630
            d-g potential
              4
            2     15.2050080             35.4320570
            2     15.2258480             53.1356870
            2      6.0717690              9.0698020
            2      5.8047600             13.1223040
            f-g potential
              2
            2     15.2061680            -15.7454500
            2     15.2017020            -20.7424480
            -I     0
            I-ECP     4     28
            g potential
              1
            2      1.00000000             0.00000000
            s-g potential
              3
            2     40.03337600            49.98964900
            2     17.30057600           281.00655600
            2      8.85172000            61.41673900
            p-g potential
              4
            2     15.72014100            67.41623900
            2     15.20822200           134.80769600
            2      8.29418600            14.56654800
            2      7.75394900            28.96842200
            d-g potential
              4
            2     13.81775100            35.53875600
            2     13.58780500            53.33975900
            2      6.94763000             9.71646600
            2      6.96009900            14.97750000
            f-g potential
              4
            2     18.52295000           -20.17661800
            2     18.25103500           -26.08807700
            2      7.55790100            -0.22043400
            2      7.59740400            -0.22164600
            -XE     0
            XE-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              3
            2     40.0051840             49.9979620
            2     17.8122140            281.0133030
            2      9.3041500             61.5382550
            p-g potential
              4
            2     15.7017720             67.4391420
            2     15.2586080            134.8747110
            2      9.2921840             14.6633000
            2      8.5590030             29.3547300
            d-g potential
              6
            2     15.1856000             35.4369080
            2     14.2845000             53.1957720
            2      7.1218890              9.0462320
            2      6.9919630             13.2236810
            2      0.6239460              0.0848530
            2      0.6472840              0.0441550
            f-g potential
              4
            2     20.8815570            -23.0892950
            2     20.7834430            -30.0744750
            2      5.2533890             -0.2882270
            2      5.3611880             -0.3869240
            -HF     0
            HF-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              3
            2     10.24885600           478.23740400
            4     10.72912700             0.38802400
            2      1.96485600            -1.07123200
            p-h potential
              6
            2      8.68346200           101.04681800
            2      7.91692000           212.19776100
            4      9.37924300             0.13264600
            4      8.24420900             0.45310800
            2      1.59668600            -0.40791400
            2      1.71028100            -0.56181700
            d-h potential
              6
            2      5.18955700            43.11546700
            2      5.25322900            65.93473200
            4      5.93787100             0.02591200
            4      5.71290600             0.03374100
            2      1.01485600            -0.28057900
            2      0.47371200            -0.08484900
            f-h potential
              2
            2      1.91260800             4.81180100
            2      1.88074000             6.41857400
            g-h potential
              2
            2      2.72418000            -4.63658500
            2      2.70895300            -5.76728800
            -TA     0
            TA-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              3
            2     10.31806900           454.60064900
            4     10.54026700             2.83797500
            2      2.57472600            -0.81473600
            p-h potential
              6
            2      8.74334200            96.91078300
            2      7.91622300           195.85043200
            4      9.27573600             4.81252400
            4      8.10167500             6.33851200
            2      2.07712700            -0.45917300
            2      2.75037200            -0.64458600
            d-h potential
              6
            2      5.44731400            45.96997600
            2      5.21254500            69.63897200
            4      5.88435800             0.80293300
            4      5.64957900             0.42959500
            2      1.38818000            -0.30722700
            2      1.29439800            -0.46156000
            f-h potential
              2
            2      2.16127500             5.75777300
            2      2.12593900             7.67816700
            g-h potential
              2
            2      3.14592000            -5.68406600
            2      3.12794200            -7.06231300
            -W     0
            W-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     11.06379500           419.22759900
            2      8.21764100            41.19130700
            p-h potential
              6
            2      9.33818800           107.34811000
            2      8.43044800           214.69956800
            4      9.49002000             0.02544200
            4      9.48994700             0.05189500
            2      1.88299700            -0.11718400
            2      1.90697200             0.29668900
            d-h potential
              6
            2      6.20543300            58.88127900
            2      6.12215700            98.68355600
            4      6.27455600             0.01953700
            4      6.22637500             0.02195600
            2      1.96387500            -0.08857700
            2      1.88828700            -0.20972600
            f-h potential
              2
            2      2.30795300             6.23247200
            2      2.27060900             8.31134500
            g-h potential
              2
            2      3.58349100            -6.80294400
            2      3.56251500            -8.44323200
            -RE     0
            RE-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     12.16381400           421.97030000
            2      7.10759500            50.13443900
            p-h potential
              4
            2      9.68459700            88.48191000
            2      9.47621400           176.78722000
            2      7.66806600            10.43433800
            2      5.05515600            20.45874300
            d-h potential
              4
            2      6.50988800            43.16243100
            2      6.09121600            64.76775900
            2      4.16400600             5.34030100
            2      4.40737900             8.24333200
            f-h potential
              2
            2      2.56265800             7.24454300
            2      2.52154900             9.65926600
            g-h potential
              2
            2      4.03459900            -7.97494000
            2      4.00962800            -9.88273600
            -OS     0
            OS-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     13.00200100           424.39037600
            2      6.96276300            57.12250300
            p-h potential
              4
            2     10.49894100            88.27900300
            2      9.99252300           176.48606400
            2      6.58824800            11.71501200
            2      5.03716700            22.91500600
            d-h potential
              4
            2      7.08344100            44.77770800
            2      6.72117900            67.15364800
            2      3.79462600             5.55038700
            2      3.74812500             8.22010400
            f-h potential
              2
            2      2.82627600             8.32833200
            2      2.78119800            11.10310200
            g-h potential
              2
            2      4.49698100            -9.18134300
            2      4.46773800           -11.36160400
            -IR     0
            IR-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     13.83147400           426.95814900
            2      7.04791400            65.33881300
            p-h potential
              4
            2     11.10643300            88.07544200
            2     10.45655200           176.12477000
            2      6.37961400            12.68226000
            2      5.06472600            24.63594900
            d-h potential
              4
            2      7.54875400            46.43325800
            2      7.26530800            69.63807400
            2      3.80096900             6.15024800
            2      3.71828000             9.46356000
            f-h potential
              2
            2      3.09870600             9.48361000
            2      3.04946100            12.64274200
            g-h potential
              2
            2      4.96979000           -10.41069700
            2      4.93561400           -12.86319600
            -PT     0
            PT-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     14.60450000           429.64608700
            2      7.21828700            73.15688400
            p-h potential
              4
            2     11.57716200            88.02291700
            2     10.88384300           175.99819600
            2      6.42440300            13.68227400
            2      5.22419800            27.41465100
            d-h potential
              4
            2      7.69961000            43.55785200
            2      7.55080800            65.36910800
            2      3.96116400             7.01859600
            2      3.87277700            11.39173300
            f-h potential
              2
            2      3.37986900            10.71022000
            2      3.32625500            14.27812500
            g-h potential
              2
            2      5.45202000           -11.65174900
            2      5.41258500           -14.37552500
            -AU     0
            AU-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     13.5232180            426.6418670
            2      6.2643840             36.8006680
            p-h potential
              4
            2     11.4138670             87.0020910
            2     10.3292150            174.0043700
            2      5.7074240              8.8706100
            2      4.8281650             17.9024380
            d-h potential
              4
            2      7.4309630             49.8836550
            2      8.3219900             74.6845490
            2      4.6096420              6.4862270
            2      3.5115070              9.5468210
            f-h potential
              2
            2      3.0846390              8.7916400
            2      3.0247430             11.6584560
            g-h potential
              2
            2      3.9784420             -5.2343370
            2      4.0114910             -6.7381420
            -HG     0
            HG-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     12.4130710            275.7747970
            2      6.8979130             49.2678980
            p-h potential
              4
            2     11.3103200             80.5069840
            2     10.2107730            161.0348240
            2      5.9398040              9.0834160
            2      5.0197550             18.3677730
            d-h potential
              4
            2      8.4078950             51.1372560
            2      8.2140860             76.7074590
            2      4.0126120              6.5618210
            2      3.7953980              9.8180700
            f-h potential
              2
            2      3.2731060              9.4290010
            2      3.2083210             12.4948560
            g-h potential
              2
            2      4.4852960             -6.3384140
            2      4.5132000             -8.0998630
            -TL     0
            TL-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     12.1678050            281.2846630
            2      8.2949090             62.4342510
            p-h potential
              4
            2      7.1514920              4.6334080
            2      5.1728650              9.3417560
            2      9.8910720             72.2992530
            2      9.0033910            144.5580370
            d-h potential
              4
            2      7.1302180             35.9430390
            2      6.9269060             53.9095930
            2      5.4175700             10.3819390
            2      5.1386810             15.5838220
            f-h potential
              4
            2      5.6263990             15.8254880
            2      5.5489520             21.1040210
            2      2.8749460              2.9151270
            2      2.8214510              3.8969030
            g-h potential
              4
            2      6.6790570             -7.4945340
            2      6.7068350             -9.5405750
            2      7.2092840             -7.7979920
            2      7.0709640             -9.2595240
            -PB     0
            PB-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     12.2963030            281.2854990
            2      8.6326340             62.5202170
            p-h potential
              4
            2     10.2417900             72.2768970
            2      8.9241760            144.5910830
            2      6.5813420              4.7586930
            2      6.2554030              9.9406210
            d-h potential
              4
            2      7.7543360             35.8485070
            2      7.7202810             53.7243420
            2      4.9702640             10.1152560
            2      4.5637890             14.8337310
            f-h potential
              2
            2      3.8875120             12.2098920
            2      3.8119630             16.1902910
            g-h potential
              2
            2      5.6915770             -9.0966650
            2      5.7155670            -11.5319960
            -BI     0
            BI-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     13.0430900            283.2642270
            2      8.2216820             62.4719590
            p-h potential
              4
            2     10.4677770             72.0014990
            2      9.1189010            144.0022770
            2      6.7547910              5.0079450
            2      6.2525920              9.9915500
            d-h potential
              4
            2      8.0814740             36.3962590
            2      7.8905950             54.5976640
            2      4.9555560              9.9842940
            2      4.7045590             14.9814850
            f-h potential
              2
            2      4.2145460             13.7133830
            2      4.1334000             18.1943080
            g-h potential
              2
            2      6.2057090            -10.2474430
            2      6.2277820            -12.9557100
            -PO     0
            PO-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     13.2772270            283.2447060
            2      8.3995180             62.3964610
            p-h potential
              4
            2     10.6656820             71.9917160
            2      9.2837530            143.9718710
            2      6.8727490              4.9496150
            2      6.3261500              9.7404990
            d-h potential
              4
            2      8.2148660             36.3783830
            2      8.0086960             54.5627150
            2      5.0552270              9.8894990
            2      4.7825530             14.6938770
            f-h potential
              4
            2      5.0132700             17.4282950
            2      4.9846400             23.3803530
            2      1.3267600              0.1633920
            2      1.5287580              0.3245660
            g-h potential
              2
            2      6.7715260            -11.5632940
            2      6.7779250            -14.5097880
            -AT     0
            AT-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              3
            2     30.2008320             49.9571580
            2     13.6123060            283.2103710
            2      8.5293400             62.2810520
            p-h potential
              4
            2     10.8540650             71.9823710
            2      9.4682290            143.9035320
            2      7.0311140              4.8717590
            2      6.1438580              8.9830590
            d-h potential
              4
            2      8.3135150             36.3632370
            2      7.9989650             54.5489700
            2      5.1799660              9.7762850
            2      4.9422260             14.2647550
            f-h potential
              4
            2      5.8121630             19.8701980
            2      5.7537150             26.4164520
            2      2.5134720              0.9949700
            2      2.5362610              1.4907010
            g-h potential
              4
            2      9.8957780            -22.2232030
            2      9.7373340            -26.7154760
            2      3.0133310             -0.3730440
            2      3.0977630             -0.4859460
            -RN     0
            RN-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              3
            2     30.1512420             49.9655510
            2     14.5212410            283.0700000
            2      8.0520380             62.0028700
            p-h potential
              4
            2     11.0099420             71.9691190
            2      9.6176250            143.8605590
            2      7.3360080              4.7147610
            2      6.4062530              9.0130650
            d-h potential
              4
            2      8.3692200             36.3683650
            2      8.1169750             54.5517610
            2      5.3536560              9.6344870
            2      5.0972120             14.3879020
            f-h potential
              4
            2      6.3485710             21.7972900
            2      6.2959490             28.9468050
            2      2.8821180              1.4473650
            2      2.9080480              2.1779640
            g-h potential
              4
            2     11.0152050            -25.2280950
            2     10.9098530            -30.5661210
            2      3.4827610             -0.5748000
            2      3.6004180             -0.7795380
            
 Initial command:
 /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1.exe "/projects/academic/jochena/pierpa/VROA36_Benchmark/VROA_532/Experimental_Lasers/New_Molecules/Tuned_LCPBE/Gau-104488.inp" -scrdir="/projects/academic/jochena/pierpa/VROA36_Benchmark/VROA_532/Experimental_Lasers/New_Molecules/Tuned_LCPBE/"
 Entering Link 1 = /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1.exe PID=    104497.
  
 Copyright (c) 1988,1990,1992,1993,1995,1998,2003,2009,2016,
            Gaussian, Inc.  All Rights Reserved.
  
 This is part of the Gaussian(R) 16 program.  It is based on
 the Gaussian(R) 09 system (copyright 2009, Gaussian, Inc.),
 the Gaussian(R) 03 system (copyright 2003, Gaussian, Inc.),
 the Gaussian(R) 98 system (copyright 1998, Gaussian, Inc.),
 the Gaussian(R) 94 system (copyright 1995, Gaussian, Inc.),
 the Gaussian 92(TM) system (copyright 1992, Gaussian, Inc.),
 the Gaussian 90(TM) system (copyright 1990, Gaussian, Inc.),
 the Gaussian 88(TM) system (copyright 1988, Gaussian, Inc.),
 the Gaussian 86(TM) system (copyright 1986, Carnegie Mellon
 University), and the Gaussian 82(TM) system (copyright 1983,
 Carnegie Mellon University). Gaussian is a federally registered
 trademark of Gaussian, Inc.
  
 This software contains proprietary and confidential information,
 including trade secrets, belonging to Gaussian, Inc.
  
 This software is provided under written license and may be
 used, copied, transmitted, or stored only in accord with that
 written license.
  
 The following legend is applicable only to US Government
 contracts under FAR:
  
                    RESTRICTED RIGHTS LEGEND
  
 Use, reproduction and disclosure by the US Government is
 subject to restrictions as set forth in subparagraphs (a)
 and (c) of the Commercial Computer Software - Restricted
 Rights clause in FAR 52.227-19.
  
 Gaussian, Inc.
 340 Quinnipiac St., Bldg. 40, Wallingford CT 06492
  
  
 ---------------------------------------------------------------
 Warning -- This program may not be used in any manner that
 competes with the business of Gaussian, Inc. or will provide
 assistance to any competitor of Gaussian, Inc.  The licensee
 of this program is prohibited from giving any competitor of
 Gaussian, Inc. access to this program.  By using this program,
 the user acknowledges that Gaussian, Inc. is engaged in the
 business of creating and licensing software in the field of
 computational chemistry and represents and warrants to the
 licensee that it is not a competitor of Gaussian, Inc. and that
 it will not use this program in any manner prohibited above.
 ---------------------------------------------------------------
  

 Cite this work as:
 Gaussian 16, Revision A.03,
 M. J. Frisch, G. W. Trucks, H. B. Schlegel, G. E. Scuseria, 
 M. A. Robb, J. R. Cheeseman, G. Scalmani, V. Barone, 
 G. A. Petersson, H. Nakatsuji, X. Li, M. Caricato, A. V. Marenich, 
 J. Bloino, B. G. Janesko, R. Gomperts, B. Mennucci, H. P. Hratchian, 
 J. V. Ortiz, A. F. Izmaylov, J. L. Sonnenberg, D. Williams-Young, 
 F. Ding, F. Lipparini, F. Egidi, J. Goings, B. Peng, A. Petrone, 
 T. Henderson, D. Ranasinghe, V. G. Zakrzewski, J. Gao, N. Rega, 
 G. Zheng, W. Liang, M. Hada, M. Ehara, K. Toyota, R. Fukuda, 
 J. Hasegawa, M. Ishida, T. Nakajima, Y. Honda, O. Kitao, H. Nakai, 
 T. Vreven, K. Throssell, J. A. Montgomery, Jr., J. E. Peralta, 
 F. Ogliaro, M. J. Bearpark, J. J. Heyd, E. N. Brothers, K. N. Kudin, 
 V. N. Staroverov, T. A. Keith, R. Kobayashi, J. Normand, 
 K. Raghavachari, A. P. Rendell, J. C. Burant, S. S. Iyengar, 
 J. Tomasi, M. Cossi, J. M. Millam, M. Klene, C. Adamo, R. Cammi, 
 J. W. Ochterski, R. L. Martin, K. Morokuma, O. Farkas, 
 J. B. Foresman, and D. J. Fox, Gaussian, Inc., Wallingford CT, 2016.
 
 ******************************************
 Gaussian 16:  ES64L-G16RevA.03 25-Dec-2016
                16-Aug-2021 
 ******************************************
 %NoSave
 %NProc=8
 Will use up to    8 processors via shared memory.
 %Mem=42GB
 %chk=31_naproxen_conformer03_STD_LCPBE_augccpVDZ
 ----------------------------------------------------------------------
 #P LC-PBEPBE/Gen Integral=UltraFineGrid SCF=(NoSymm,MaxCyc=200,Tight) 
 Polar=ROA Guess=Read Geom=Check CPHF=RdFreq IOp(1/33=1,3/107=023000000
 0,3/108=0230000000,3/119=1000000000,3/120=1000000000,3/130=-1,3/131=-1
 )
 ----------------------------------------------------------------------
 1/29=2,33=1,38=1,83=21,172=1/1;
 2/12=2,40=1/2;
 3/5=7,11=2,14=-4,25=1,30=1,36=2,74=1001009,75=-5,107=230000000,108=230000000,116=-2,119=1000000000,120=1000000000,130=-1,131=-1/1,2,3;
 4/5=1,9=2/1;
 5/5=2,7=200,32=2,38=6,98=1/2;
 8/6=4,10=90,11=11/1;
 10/13=10,49=112,72=3/2;
 6/7=2,8=2,9=2,10=2,28=1/1;
 7/8=1,25=21/16;
 99/5=1/99;
 Leave Link    1 at Mon Aug 16 21:28:42 2021, MaxMem=  5637144576 cpu:               1.5 elap:               0.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l101.exe)
 ONIOM results not found on unit 2.
 -----------------
 ROA calculations.
 -----------------
 TstMul:  ICh=     0
 TstMul:  Mul=     1
 TstMul:  ICh=     0
 TstMul:  Mul=     1
 Structure from the checkpoint file:  "31_naproxen_conformer03_STD_LCPBE_augccpVDZ.chk"
 Charge =  0 Multiplicity = 1
 No Z-Matrix found in chk file; cartesian coordinates used.
  C                                                 0.534503000000     -0.540241000000      0.250726000000
  C                                                 1.208047000000      0.686254000000     -0.018994000000
  C                                                -0.871111000000     -0.548582000000      0.352837000000
  C                                                -1.615360000000      0.600511000000      0.194237000000
  C                                                -0.937903000000      1.810722000000     -0.077253000000
  C                                                 0.429321000000      1.854269000000     -0.179299000000
  C                                                 1.312272000000     -1.716102000000      0.408925000000
  H                                                -1.366601000000     -1.491361000000      0.557454000000
  H                                                -1.515348000000      2.718805000000     -0.203162000000
  H                                                 0.928391000000      2.793066000000     -0.386339000000
  C                                                -3.123514000000      0.580399000000      0.330991000000
  C                                                -3.582702000000      0.341624000000      1.771049000000
  C                                                -3.808238000000     -0.400692000000     -0.629910000000
  H                                                -3.495206000000      1.561723000000      0.013814000000
  H                                                -3.241865000000     -0.630545000000      2.127829000000
  H                                                -4.668885000000      0.361293000000      1.833837000000
  H                                                -3.169487000000      1.109726000000      2.424876000000
  O                                                -4.830838000000     -0.974186000000     -0.383978000000
  O                                                -3.217917000000     -0.549143000000     -1.838643000000
  H                                                -2.355614000000     -0.107100000000     -1.835698000000
  C                                                 2.671053000000     -1.679537000000      0.307450000000
  C                                                 3.338655000000     -0.457152000000      0.039453000000
  C                                                 2.621063000000      0.703564000000     -0.121448000000
  O                                                 4.689861000000     -0.555418000000     -0.036901000000
  C                                                 5.432086000000      0.622962000000     -0.304199000000
  H                                                 0.808612000000     -2.652916000000      0.612592000000
  H                                                 3.271812000000     -2.571003000000      0.426688000000
  H                                                 3.110374000000      1.644342000000     -0.326736000000
  H                                                 5.158044000000      1.051824000000     -1.272282000000
  H                                                 6.476520000000      0.322638000000     -0.322951000000
  H                                                 5.281369000000      1.371486000000      0.478872000000
 Recover connectivity data from disk.
 After GenITR:
 ITRead=  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0
 ITRead=  0  0  0  0  0  0  0  0  0  0  0
 MicOpt= -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1
 MicOpt= -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1
 ITRead=  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0
 ITRead=  0  0  0  0  0  0  0  0  0  0  0
 MicOpt= -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1
 MicOpt= -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1
 NAtoms=     31 NQM=       31 NQMF=       0 NMMI=      0 NMMIF=      0
                NMic=       0 NMicF=      0.
                    Isotopes and Nuclear Properties:
 (Nuclear quadrupole moments (NQMom) in fm**2, nuclear magnetic moments (NMagM)
  in nuclear magnetons)

  Atom         1           2           3           4           5           6           7           8           9          10
 IAtWgt=          12          12          12          12          12          12          12           1           1           1
 AtmWgt=  12.0000000  12.0000000  12.0000000  12.0000000  12.0000000  12.0000000  12.0000000   1.0078250   1.0078250   1.0078250
 NucSpn=           0           0           0           0           0           0           0           1           1           1
 AtZEff=   3.6000000   3.6000000   3.6000000   3.6000000   3.6000000   3.6000000   3.6000000   1.0000000   1.0000000   1.0000000
 NQMom=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
 NMagM=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   2.7928460   2.7928460   2.7928460
 AtZNuc=   6.0000000   6.0000000   6.0000000   6.0000000   6.0000000   6.0000000   6.0000000   1.0000000   1.0000000   1.0000000

  Atom        11          12          13          14          15          16          17          18          19          20
 IAtWgt=          12          12          12           1           1           1           1          16          16           1
 AtmWgt=  12.0000000  12.0000000  12.0000000   1.0078250   1.0078250   1.0078250   1.0078250  15.9949146  15.9949146   1.0078250
 NucSpn=           0           0           0           1           1           1           1           0           0           1
 AtZEff=   3.6000000   3.6000000   3.6000000   1.0000000   1.0000000   1.0000000   1.0000000   5.6000000   5.6000000   1.0000000
 NQMom=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
 NMagM=    0.0000000   0.0000000   0.0000000   2.7928460   2.7928460   2.7928460   2.7928460   0.0000000   0.0000000   2.7928460
 AtZNuc=   6.0000000   6.0000000   6.0000000   1.0000000   1.0000000   1.0000000   1.0000000   8.0000000   8.0000000   1.0000000

  Atom        21          22          23          24          25          26          27          28          29          30
 IAtWgt=          12          12          12          16          12           1           1           1           1           1
 AtmWgt=  12.0000000  12.0000000  12.0000000  15.9949146  12.0000000   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250
 NucSpn=           0           0           0           0           0           1           1           1           1           1
 AtZEff=   3.6000000   3.6000000   3.6000000   5.6000000   3.6000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000
 NQMom=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
 NMagM=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460
 AtZNuc=   6.0000000   6.0000000   6.0000000   8.0000000   6.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000

  Atom        31
 IAtWgt=           1
 AtmWgt=   1.0078250
 NucSpn=           1
 AtZEff=   1.0000000
 NQMom=    0.0000000
 NMagM=    2.7928460
 AtZNuc=   1.0000000
 No MM parameters found.
 Using perturbation frequencies:    0.088559
 Leave Link  101 at Mon Aug 16 21:28:42 2021, MaxMem=  5637144576 cpu:               0.9 elap:               0.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l202.exe)
                          Input orientation:                          
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          6           0        0.534503   -0.540241    0.250726
      2          6           0        1.208047    0.686254   -0.018994
      3          6           0       -0.871111   -0.548582    0.352837
      4          6           0       -1.615360    0.600511    0.194237
      5          6           0       -0.937903    1.810722   -0.077253
      6          6           0        0.429321    1.854269   -0.179299
      7          6           0        1.312272   -1.716102    0.408925
      8          1           0       -1.366601   -1.491361    0.557454
      9          1           0       -1.515348    2.718805   -0.203162
     10          1           0        0.928391    2.793066   -0.386339
     11          6           0       -3.123514    0.580399    0.330991
     12          6           0       -3.582702    0.341624    1.771049
     13          6           0       -3.808238   -0.400692   -0.629910
     14          1           0       -3.495206    1.561723    0.013814
     15          1           0       -3.241865   -0.630545    2.127829
     16          1           0       -4.668885    0.361293    1.833837
     17          1           0       -3.169487    1.109726    2.424876
     18          8           0       -4.830838   -0.974186   -0.383978
     19          8           0       -3.217917   -0.549143   -1.838643
     20          1           0       -2.355614   -0.107100   -1.835698
     21          6           0        2.671053   -1.679537    0.307450
     22          6           0        3.338655   -0.457152    0.039453
     23          6           0        2.621063    0.703564   -0.121448
     24          8           0        4.689861   -0.555418   -0.036901
     25          6           0        5.432086    0.622962   -0.304199
     26          1           0        0.808612   -2.652916    0.612592
     27          1           0        3.271812   -2.571003    0.426688
     28          1           0        3.110374    1.644342   -0.326736
     29          1           0        5.158044    1.051824   -1.272282
     30          1           0        6.476520    0.322638   -0.322951
     31          1           0        5.281369    1.371486    0.478872
 ---------------------------------------------------------------------
                    Distance matrix (angstroms):
                    1          2          3          4          5
     1  C    0.000000
     2  C    1.425026   0.000000
     3  C    1.409343   2.446625   0.000000
     4  C    2.434423   2.832745   1.378215   0.000000
     5  C    2.793309   2.423412   2.399115   1.413246   0.000000
     6  C    2.435090   1.412930   2.783520   2.427377   1.371718
     7  C    1.418662   2.442395   2.476572   3.739494   4.211668
     8  H    2.147768   3.420981   1.084532   2.137694   3.389747
     9  H    3.876762   3.403243   3.376388   2.157568   1.083472
    10  H    3.416421   2.156805   3.866678   3.408084   2.131569
    11  C    3.826665   4.346966   2.519602   1.514475   2.541113
    12  C    4.476656   5.125846   3.186929   2.534520   3.545339
    13  C    4.433328   5.168925   3.100706   2.547615   3.665325
    14  H    4.551147   4.784152   3.384405   2.119033   2.571010
    15  H    4.218131   5.113172   2.962733   2.810657   4.016268
    16  H    5.513098   6.170649   4.176640   3.474123   4.435463
    17  H    4.600963   5.031365   3.510821   2.765929   3.425202
    18  O    5.420151   6.273628   4.050120   3.626748   4.796325
    19  O    4.294904   4.942316   3.210932   2.832401   3.724234
    20  H    3.590759   4.077929   2.681108   2.273615   2.963119
    21  C    2.421995   2.800700   3.718608   4.856416   5.035322
    22  C    2.813327   2.418736   4.222404   5.068025   4.842089
    23  C    2.457498   1.416831   3.740066   4.249418   3.727464
    24  O    4.165328   3.696633   5.574617   6.414469   6.105078
    25  C    5.064317   4.234130   6.444727   7.065086   6.483752
    26  H    2.160898   3.421769   2.705026   4.078658   4.842547
    27  H    3.412890   3.881685   4.610797   5.830693   6.097144
    28  H    3.426511   2.152089   4.595972   4.867603   4.059368
    29  H    5.121656   4.160150   6.446163   6.945024   6.258162
    30  H    6.031686   5.289746   7.429899   8.113151   7.566269
    31  H    5.122449   4.160453   6.446360   6.945523   6.259517
                    6          7          8          9         10
     6  C    0.000000
     7  C    3.724669   0.000000
     8  H    3.867994   2.692384   0.000000
     9  H    2.128316   5.295138   4.280906   0.000000
    10  H    1.083179   4.594824   4.951166   2.451720   0.000000
    11  C    3.808645   4.995617   2.725843   2.728424   4.672086
    12  C    4.710444   5.481823   3.121498   3.717856   5.569008
    13  C    4.821287   5.387866   2.925916   3.894961   5.717960
    14  H    3.940151   5.831989   3.761360   2.303422   4.609180
    15  H    4.997474   4.987307   2.593009   4.430861   5.952578
    16  H    5.680968   6.490006   3.995818   4.433060   6.494013
    17  H    4.504164   5.668821   3.674686   3.497413   5.246825
    18  O    5.975895   6.238344   3.626941   4.966221   6.881926
    19  O    4.672489   5.189987   3.171187   4.031504   5.520092
    20  H    3.787676   4.591362   2.936239   3.370009   4.614791
    21  C    4.213083   1.363055   4.049761   6.093611   4.849989
    22  C    3.722196   2.414061   4.845343   5.805765   4.068733
    23  C    2.476126   2.801609   4.602181   4.601931   2.702096
    24  O    4.896843   3.599174   6.157108   7.018034   5.048080
    25  C    5.153579   4.790891   7.171817   7.257383   4.999937
    26  H    4.591914   1.082947   2.466536   5.909453   5.538134
    27  H    5.294337   2.137982   4.764200   7.162100   5.909811
    28  H    2.693298   3.881617   5.536942   4.750478   2.466611
    29  H    4.919284   5.027707   7.237867   6.961035   4.659054
    30  H    6.239803   5.600139   8.098164   8.344215   6.073612
    31  H    4.920227   5.029098   7.238617   6.962457   4.660246
                   11         12         13         14         15
    11  C    0.000000
    12  C    1.530240   0.000000
    13  C    1.534509   2.523193   0.000000
    14  H    1.096245   2.141068   2.088885   0.000000
    15  H    2.170027   1.090218   2.824665   3.056024   0.000000
    16  H    2.166731   1.088174   2.718710   2.476093   1.762544
    17  H    2.160244   1.090054   3.467143   2.474594   1.766923
    18  O    2.417203   2.816619   1.197952   2.893611   2.992006
    19  O    2.447874   3.735828   1.353348   2.822099   3.967379
    20  H    2.399347   3.836108   1.910559   2.739404   4.094995
    21  C    6.219716   6.733251   6.670480   6.972427   6.275091
    22  C    6.551422   7.179251   7.178392   7.125880   6.906129
    23  C    5.763682   6.496095   6.543228   6.177660   6.419737
    24  O    7.904066   8.515202   8.520169   8.454595   8.222164
    25  C    8.579252   9.254848   9.302556   8.982146   9.095244
    26  H    5.098553   5.439939   5.285038   6.053476   4.774127
    27  H    7.130266   7.568029   7.480224   7.939926   7.006229
    28  H    6.358140   7.134076   7.220891   6.614869   7.179898
    29  H    8.448487   9.282612   9.105858   8.763149   9.216810
    30  H    9.625733  10.274879  10.314731  10.054057  10.067864
    31  H    8.443326   9.016767   9.326895   8.790946   8.909136
                   16         17         18         19         20
    16  H    0.000000
    17  H    1.776984   0.000000
    18  O    2.593923   3.872007   0.000000
    19  O    4.052322   4.575127   2.213194   0.000000
    20  H    4.363038   4.505058   2.997676   0.969008   0.000000
    21  C    7.769783   6.809948   7.566635   6.368946   5.686213
    22  C    8.246840   7.106424   8.196782   6.820876   6.005283
    23  C    7.555371   6.338707   7.642944   6.213833   5.325706
    24  O    9.587812   8.402524   9.536222   8.110442   7.285285
    25  C   10.328082   9.037248  10.386763   8.862895   7.970367
    26  H    6.370233   5.767766   5.967804   5.162107   4.742112
    27  H    8.580973   7.683154   8.298189   7.164930   6.546536
    28  H    8.175033   6.877051   8.361986   6.866186   5.934774
    29  H   10.329247   9.111537  10.230912   8.546378   7.623359
    30  H   11.352237  10.060592  11.381644   9.850860   8.971046
    31  H   10.092768   8.675968  10.416497   9.016516   8.115846
                   21         22         23         24         25
    21  C    0.000000
    22  C    1.418358   0.000000
    23  C    2.421905   1.374078   0.000000
    24  O    2.336195   1.356924   2.423243   0.000000
    25  C    3.646768   2.380587   2.818110   1.418071   0.000000
    26  H    2.123503   3.398674   3.884553   4.459309   5.740069
    27  H    1.081592   2.150066   3.383300   2.507660   3.924588
    28  H    3.412238   2.145340   1.080107   2.723551   2.536547
    29  H    4.017588   2.703301   2.807486   2.080526   1.093712
    30  H    4.345997   3.253553   3.879466   2.011208   1.086917
    31  H    4.018940   2.703913   2.807798   2.080592   1.093711
                   26         27         28         29         30
    26  H    0.000000
    27  H    2.471563   0.000000
    28  H    4.964562   4.285189   0.000000
    29  H    6.016262   4.423714   2.331971   0.000000
    30  H    6.469493   4.382382   3.616332   1.780820   0.000000
    31  H    6.018243   4.425411   2.331668   1.784358   1.780839
                   31
    31  H    0.000000
 Stoichiometry    C14H14O3
 Framework group  C1[X(C14H14O3)]
 Deg. of freedom    87
 Full point group                 C1      NOp   1
 RotChk:  IX=0 Diff= 4.39D-16
 Largest Abelian subgroup         C1      NOp   1
 Largest concise Abelian subgroup C1      NOp   1
                         Standard orientation:                         
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          6           0        0.534503   -0.540241    0.250726
      2          6           0        1.208047    0.686254   -0.018994
      3          6           0       -0.871111   -0.548582    0.352837
      4          6           0       -1.615360    0.600511    0.194237
      5          6           0       -0.937903    1.810722   -0.077253
      6          6           0        0.429321    1.854269   -0.179299
      7          6           0        1.312272   -1.716102    0.408925
      8          1           0       -1.366601   -1.491361    0.557454
      9          1           0       -1.515348    2.718805   -0.203162
     10          1           0        0.928391    2.793066   -0.386339
     11          6           0       -3.123514    0.580399    0.330991
     12          6           0       -3.582702    0.341624    1.771049
     13          6           0       -3.808238   -0.400692   -0.629910
     14          1           0       -3.495206    1.561723    0.013814
     15          1           0       -3.241865   -0.630545    2.127829
     16          1           0       -4.668885    0.361293    1.833837
     17          1           0       -3.169487    1.109726    2.424876
     18          8           0       -4.830838   -0.974186   -0.383978
     19          8           0       -3.217917   -0.549143   -1.838643
     20          1           0       -2.355614   -0.107100   -1.835698
     21          6           0        2.671053   -1.679537    0.307450
     22          6           0        3.338655   -0.457152    0.039453
     23          6           0        2.621063    0.703564   -0.121448
     24          8           0        4.689861   -0.555418   -0.036901
     25          6           0        5.432086    0.622962   -0.304199
     26          1           0        0.808612   -2.652916    0.612592
     27          1           0        3.271812   -2.571003    0.426688
     28          1           0        3.110374    1.644342   -0.326736
     29          1           0        5.158044    1.051824   -1.272282
     30          1           0        6.476520    0.322638   -0.322951
     31          1           0        5.281369    1.371486    0.478872
 ---------------------------------------------------------------------
 Rotational constants (GHZ):           1.3250595           0.2107099           0.2001932
 Leave Link  202 at Mon Aug 16 21:28:42 2021, MaxMem=  5637144576 cpu:               0.1 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l301.exe)
 General basis read from cards:  (5D, 7F)
 Centers:       8      9     10     14     15     16     17     20     26     27
 Centers:      28     29     30     31
 S 4 1.00
     Exponent=  1.3010000000D+01 Coefficients=  1.9685000000D-02
     Exponent=  1.9620000000D+00 Coefficients=  1.3797700000D-01
     Exponent=  4.4460000000D-01 Coefficients=  4.7814800000D-01
     Exponent=  1.2200000000D-01 Coefficients=  5.0124000000D-01
 S 1 1.00
     Exponent=  1.2200000000D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  2.9740000000D-02 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  7.2700000000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  1.4100000000D-01 Coefficients=  1.0000000000D+00
 ****
 Centers:       1      2      3      4      5      6      7     11     12     13
 Centers:      21     22     23     25
 S 9 1.00
     Exponent=  6.6650000000D+03 Coefficients=  6.9200000000D-04
     Exponent=  1.0000000000D+03 Coefficients=  5.3290000000D-03
     Exponent=  2.2800000000D+02 Coefficients=  2.7077000000D-02
     Exponent=  6.4710000000D+01 Coefficients=  1.0171800000D-01
     Exponent=  2.1060000000D+01 Coefficients=  2.7474000000D-01
     Exponent=  7.4950000000D+00 Coefficients=  4.4856400000D-01
     Exponent=  2.7970000000D+00 Coefficients=  2.8507400000D-01
     Exponent=  5.2150000000D-01 Coefficients=  1.5204000000D-02
     Exponent=  1.5960000000D-01 Coefficients= -3.1910000000D-03
 S 9 1.00
     Exponent=  6.6650000000D+03 Coefficients= -1.4600000000D-04
     Exponent=  1.0000000000D+03 Coefficients= -1.1540000000D-03
     Exponent=  2.2800000000D+02 Coefficients= -5.7250000000D-03
     Exponent=  6.4710000000D+01 Coefficients= -2.3312000000D-02
     Exponent=  2.1060000000D+01 Coefficients= -6.3955000000D-02
     Exponent=  7.4950000000D+00 Coefficients= -1.4998100000D-01
     Exponent=  2.7970000000D+00 Coefficients= -1.2726200000D-01
     Exponent=  5.2150000000D-01 Coefficients=  5.4452900000D-01
     Exponent=  1.5960000000D-01 Coefficients=  5.8049600000D-01
 S 1 1.00
     Exponent=  1.5960000000D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  4.6900000000D-02 Coefficients=  1.0000000000D+00
 P 4 1.00
     Exponent=  9.4390000000D+00 Coefficients=  3.8109000000D-02
     Exponent=  2.0020000000D+00 Coefficients=  2.0948000000D-01
     Exponent=  5.4560000000D-01 Coefficients=  5.0855700000D-01
     Exponent=  1.5170000000D-01 Coefficients=  4.6884200000D-01
 P 1 1.00
     Exponent=  1.5170000000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  4.0410000000D-02 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  5.5000000000D-01 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  1.5100000000D-01 Coefficients=  1.0000000000D+00
 ****
 Centers:      18     19     24
 S 9 1.00
     Exponent=  1.1720000000D+04 Coefficients=  7.1000000000D-04
     Exponent=  1.7590000000D+03 Coefficients=  5.4700000000D-03
     Exponent=  4.0080000000D+02 Coefficients=  2.7837000000D-02
     Exponent=  1.1370000000D+02 Coefficients=  1.0480000000D-01
     Exponent=  3.7030000000D+01 Coefficients=  2.8306200000D-01
     Exponent=  1.3270000000D+01 Coefficients=  4.4871900000D-01
     Exponent=  5.0250000000D+00 Coefficients=  2.7095200000D-01
     Exponent=  1.0130000000D+00 Coefficients=  1.5458000000D-02
     Exponent=  3.0230000000D-01 Coefficients= -2.5850000000D-03
 S 9 1.00
     Exponent=  1.1720000000D+04 Coefficients= -1.6000000000D-04
     Exponent=  1.7590000000D+03 Coefficients= -1.2630000000D-03
     Exponent=  4.0080000000D+02 Coefficients= -6.2670000000D-03
     Exponent=  1.1370000000D+02 Coefficients= -2.5716000000D-02
     Exponent=  3.7030000000D+01 Coefficients= -7.0924000000D-02
     Exponent=  1.3270000000D+01 Coefficients= -1.6541100000D-01
     Exponent=  5.0250000000D+00 Coefficients= -1.1695500000D-01
     Exponent=  1.0130000000D+00 Coefficients=  5.5736800000D-01
     Exponent=  3.0230000000D-01 Coefficients=  5.7275900000D-01
 S 1 1.00
     Exponent=  3.0230000000D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  7.8960000000D-02 Coefficients=  1.0000000000D+00
 P 4 1.00
     Exponent=  1.7700000000D+01 Coefficients=  4.3018000000D-02
     Exponent=  3.8540000000D+00 Coefficients=  2.2891300000D-01
     Exponent=  1.0460000000D+00 Coefficients=  5.0872800000D-01
     Exponent=  2.7530000000D-01 Coefficients=  4.6053100000D-01
 P 1 1.00
     Exponent=  2.7530000000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  6.8560000000D-02 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  1.1850000000D+00 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  3.3200000000D-01 Coefficients=  1.0000000000D+00
 ****
 Ernie: Thresh=  0.10000D-02 Tol=  0.10000D-05 Strict=F.
 Ernie:  51 primitive shells out of 588 were deleted.
 There are   551 symmetry adapted cartesian basis functions of A   symmetry.
 There are   517 symmetry adapted basis functions of A   symmetry.
   517 basis functions,   967 primitive gaussians,   551 cartesian basis functions
    61 alpha electrons       61 beta electrons
       nuclear repulsion energy      1136.4794098437 Hartrees.
 IExCor=11009 DFT=T Ex=LC-PBE+HF Corr=PBE ExCW=0 ScaHFX=  1.000000
 ScaDFX=  1.000000  1.000000  1.000000  1.000000 ScalE2=  1.000000  1.000000
 IRadAn=      5 IRanWt=     -1 IRanGd=            0 ICorTp=0 IEmpDi=  4
 HFx  wShort=  0.000000 wLong=  0.230000 cFull=  0.000000 cShort=  0.000000 cLong=  1.000000
 DFx  wShort=  0.000000 wLong=  0.230000 cFull=  0.000000 cShort=  0.000000 cLong=  1.000000
 NAtoms=   31 NActive=   31 NUniq=   31 SFac= 1.00D+00 NAtFMM=   60 NAOKFM=F Big=F
 Integral buffers will be    131072 words long.
 Raffenetti 2 integral format.
 Two-electron integral symmetry is turned on.
 Leave Link  301 at Mon Aug 16 21:28:43 2021, MaxMem=  5637144576 cpu:              10.3 elap:               1.3
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l302.exe)
 NPDir=0 NMtPBC=     1 NCelOv=     1 NCel=       1 NClECP=     1 NCelD=      1
         NCelK=      1 NCelE2=     1 NClLst=     1 CellRange=     0.0.
 One-electron integrals computed using PRISM.
 One-electron integral symmetry used in STVInt
 NBasis=   517 RedAO= T EigKep=  1.46D-06  NBF=   517
 NBsUse=   513 1.00D-06 EigRej=  9.61D-07 NBFU=   513
 Precomputing XC quadrature grid using
 IXCGrd= 4 IRadAn=           5 IRanWt=          -1 IRanGd=           0 AccXCQ= 0.00D+00.
 Generated NRdTot=       0 NPtTot=           0 NUsed=           0 NTot=          32
 NSgBfM=   551   551   551   551   551 MxSgAt=    31 MxSgA2=    31.
 Leave Link  302 at Mon Aug 16 21:28:44 2021, MaxMem=  5637144576 cpu:               6.1 elap:               0.8
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l303.exe)
 DipDrv:  MaxL=2.
 Leave Link  303 at Mon Aug 16 21:28:45 2021, MaxMem=  5637144576 cpu:               1.3 elap:               0.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l401.exe)
 Initial guess from the checkpoint file:  "31_naproxen_conformer03_STD_LCPBE_augccpVDZ.chk"
 SCF N**3 symmetry information disabled.
 B after Tr=    -0.000000   -0.000000   -0.000000
         Rot=    1.000000    0.000000    0.000000   -0.000000 Ang=   0.00 deg.
 Guess basis will be translated and rotated to current coordinates.
 JPrj=2 DoOrth=T DoCkMO=T.
 Leave Link  401 at Mon Aug 16 21:28:46 2021, MaxMem=  5637144576 cpu:               6.4 elap:               0.9
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l502.exe)
 Integral symmetry usage will be decided dynamically.
 Closed shell SCF:
 Using DIIS extrapolation, IDIIS=  1040.
 NGot=  5637144576 LenX=  5636527787 LenY=  5636223635
 Requested convergence on RMS density matrix=1.00D-08 within 200 cycles.
 Requested convergence on MAX density matrix=1.00D-06.
 Requested convergence on             energy=1.00D-06.
 No special actions if energy rises.
 Fock matrices will be formed incrementally for  20 cycles.

 Cycle   1  Pass 1  IDiag  1:
 FoFJK:  IHMeth= 1 ICntrl=       0 DoSepK=T KAlg= 0 I1Cent=           0 FoldK=F
 IRaf=         1 NMat=       1 IRICut=       1 DoRegI=T DoRafI=F ISym2E= 0 IDoP0=0 IntGTp=1.
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=           0
         NFxFlg=           0 DoJE=T BraDBF=F KetDBF=F FulRan=T
         wScrn=  0.000000 ICntrl=       500 IOpCl=  0 I1Cent=           0 NGrid=           0
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Symmetry not used in FoFCou.
 E= -765.487630914393    
 DIIS: error= 2.42D-03 at cycle   1 NSaved=   1.
 NSaved= 1 IEnMin= 1 EnMin= -765.487630914393     IErMin= 1 ErrMin= 2.42D-03
 ErrMax= 2.42D-03  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.74D-02 BMatP= 1.74D-02
 IDIUse=3 WtCom= 9.76D-01 WtEn= 2.42D-02
 Coeff-Com:  0.100D+01
 Coeff-En:   0.100D+01
 Coeff:      0.100D+01
 Gap=     0.290 Goal=   None    Shift=    0.000
 GapD=    0.290 DampG=1.000 DampE=1.000 DampFc=1.0000 IDamp=-1.
 RMSDP=5.37D-02 MaxDP=6.54D+00              OVMax= 1.75D-02

 Cycle   2  Pass 1  IDiag  1:
 RMSU=  4.34D-02    CP:  1.56D+00
 E= -765.501194291624     Delta-E=       -0.013563377231 Rises=F Damp=F
 DIIS: error= 1.58D-03 at cycle   2 NSaved=   2.
 NSaved= 2 IEnMin= 2 EnMin= -765.501194291624     IErMin= 2 ErrMin= 1.58D-03
 ErrMax= 1.58D-03  0.00D+00 EMaxC= 1.00D-01 BMatC= 3.86D-03 BMatP= 1.74D-02
 IDIUse=3 WtCom= 9.84D-01 WtEn= 1.58D-02
 Coeff-Com:  0.223D+00 0.777D+00
 Coeff-En:   0.000D+00 0.100D+01
 Coeff:      0.220D+00 0.780D+00
 Gap=     0.293 Goal=   None    Shift=    0.000
 RMSDP=6.83D-03 MaxDP=8.44D-01 DE=-1.36D-02 OVMax= 1.37D-02

 Cycle   3  Pass 1  IDiag  1:
 RMSU=  1.49D-03    CP:  1.63D+00  1.12D+00
 E= -765.501843349001     Delta-E=       -0.000649057377 Rises=F Damp=F
 DIIS: error= 1.40D-03 at cycle   3 NSaved=   3.
 NSaved= 3 IEnMin= 3 EnMin= -765.501843349001     IErMin= 3 ErrMin= 1.40D-03
 ErrMax= 1.40D-03  0.00D+00 EMaxC= 1.00D-01 BMatC= 3.00D-03 BMatP= 3.86D-03
 IDIUse=3 WtCom= 9.86D-01 WtEn= 1.40D-02
 Coeff-Com: -0.233D-01 0.472D+00 0.551D+00
 Coeff-En:   0.000D+00 0.439D+00 0.561D+00
 Coeff:     -0.229D-01 0.471D+00 0.552D+00
 Gap=     0.291 Goal=   None    Shift=    0.000
 RMSDP=2.59D-03 MaxDP=3.15D-01 DE=-6.49D-04 OVMax= 7.89D-03

 Cycle   4  Pass 1  IDiag  1:
 RMSU=  4.57D-04    CP:  1.66D+00  1.16D+00  1.24D+00
 E= -765.503948888703     Delta-E=       -0.002105539702 Rises=F Damp=F
 DIIS: error= 1.50D-04 at cycle   4 NSaved=   4.
 NSaved= 4 IEnMin= 4 EnMin= -765.503948888703     IErMin= 4 ErrMin= 1.50D-04
 ErrMax= 1.50D-04  0.00D+00 EMaxC= 1.00D-01 BMatC= 4.49D-05 BMatP= 3.00D-03
 IDIUse=3 WtCom= 9.99D-01 WtEn= 1.50D-03
 Coeff-Com: -0.138D-01 0.154D+00 0.218D+00 0.642D+00
 Coeff-En:   0.000D+00 0.000D+00 0.000D+00 0.100D+01
 Coeff:     -0.138D-01 0.154D+00 0.218D+00 0.643D+00
 Gap=     0.291 Goal=   None    Shift=    0.000
 RMSDP=3.79D-04 MaxDP=4.71D-02 DE=-2.11D-03 OVMax= 2.68D-03

 Cycle   5  Pass 1  IDiag  1:
 RMSU=  9.85D-05    CP:  1.67D+00  1.17D+00  1.31D+00  1.02D+00
 E= -765.503979239121     Delta-E=       -0.000030350418 Rises=F Damp=F
 DIIS: error= 9.05D-05 at cycle   5 NSaved=   5.
 NSaved= 5 IEnMin= 5 EnMin= -765.503979239121     IErMin= 5 ErrMin= 9.05D-05
 ErrMax= 9.05D-05  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.40D-05 BMatP= 4.49D-05
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.249D-02-0.192D-01 0.401D-02 0.376D+00 0.642D+00
 Coeff:     -0.249D-02-0.192D-01 0.401D-02 0.376D+00 0.642D+00
 Gap=     0.291 Goal=   None    Shift=    0.000
 RMSDP=1.85D-04 MaxDP=2.31D-02 DE=-3.04D-05 OVMax= 9.16D-04

 Cycle   6  Pass 1  IDiag  1:
 RMSU=  4.29D-05    CP:  1.67D+00  1.17D+00  1.35D+00  1.07D+00  1.24D+00
 E= -765.503990439840     Delta-E=       -0.000011200719 Rises=F Damp=F
 DIIS: error= 1.61D-05 at cycle   6 NSaved=   6.
 NSaved= 6 IEnMin= 6 EnMin= -765.503990439840     IErMin= 6 ErrMin= 1.61D-05
 ErrMax= 1.61D-05  0.00D+00 EMaxC= 1.00D-01 BMatC= 7.52D-07 BMatP= 1.40D-05
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.120D-03-0.217D-01-0.169D-01 0.110D+00 0.273D+00 0.656D+00
 Coeff:      0.120D-03-0.217D-01-0.169D-01 0.110D+00 0.273D+00 0.656D+00
 Gap=     0.291 Goal=   None    Shift=    0.000
 RMSDP=2.64D-05 MaxDP=2.03D-03 DE=-1.12D-05 OVMax= 3.11D-04

 Cycle   7  Pass 1  IDiag  1:
 RMSU=  1.31D-05    CP:  1.67D+00  1.17D+00  1.36D+00  1.08D+00  1.25D+00
                    CP:  1.30D+00
 E= -765.503991260028     Delta-E=       -0.000000820188 Rises=F Damp=F
 DIIS: error= 7.86D-06 at cycle   7 NSaved=   7.
 NSaved= 7 IEnMin= 7 EnMin= -765.503991260028     IErMin= 7 ErrMin= 7.86D-06
 ErrMax= 7.86D-06  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.02D-07 BMatP= 7.52D-07
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.461D-03-0.627D-02-0.762D-02-0.994D-02 0.152D-01 0.270D+00
 Coeff-Com:  0.738D+00
 Coeff:      0.461D-03-0.627D-02-0.762D-02-0.994D-02 0.152D-01 0.270D+00
 Coeff:      0.738D+00
 Gap=     0.292 Goal=   None    Shift=    0.000
 RMSDP=1.21D-05 MaxDP=1.01D-03 DE=-8.20D-07 OVMax= 1.41D-04

 Cycle   8  Pass 1  IDiag  1:
 RMSU=  5.91D-06    CP:  1.67D+00  1.17D+00  1.36D+00  1.08D+00  1.29D+00
                    CP:  1.38D+00  1.24D+00
 E= -765.503991410231     Delta-E=       -0.000000150203 Rises=F Damp=F
 DIIS: error= 4.72D-06 at cycle   8 NSaved=   8.
 NSaved= 8 IEnMin= 8 EnMin= -765.503991410231     IErMin= 8 ErrMin= 4.72D-06
 ErrMax= 4.72D-06  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.41D-08 BMatP= 1.02D-07
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.152D-03 0.331D-03-0.730D-03-0.176D-01-0.295D-01 0.288D-01
 Coeff-Com:  0.292D+00 0.727D+00
 Coeff:      0.152D-03 0.331D-03-0.730D-03-0.176D-01-0.295D-01 0.288D-01
 Coeff:      0.292D+00 0.727D+00
 Gap=     0.292 Goal=   None    Shift=    0.000
 RMSDP=5.72D-06 MaxDP=5.76D-04 DE=-1.50D-07 OVMax= 8.28D-05

 Cycle   9  Pass 1  IDiag  1:
 RMSU=  2.15D-06    CP:  1.67D+00  1.17D+00  1.36D+00  1.08D+00  1.29D+00
                    CP:  1.41D+00  1.32D+00  1.13D+00
 E= -765.503991436259     Delta-E=       -0.000000026029 Rises=F Damp=F
 DIIS: error= 1.94D-06 at cycle   9 NSaved=   9.
 NSaved= 9 IEnMin= 9 EnMin= -765.503991436259     IErMin= 9 ErrMin= 1.94D-06
 ErrMax= 1.94D-06  0.00D+00 EMaxC= 1.00D-01 BMatC= 2.97D-09 BMatP= 1.41D-08
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.339D-04 0.138D-02 0.127D-02-0.484D-02-0.152D-01-0.449D-01
 Coeff-Com: -0.470D-01 0.307D+00 0.802D+00
 Coeff:     -0.339D-04 0.138D-02 0.127D-02-0.484D-02-0.152D-01-0.449D-01
 Coeff:     -0.470D-01 0.307D+00 0.802D+00
 Gap=     0.292 Goal=   None    Shift=    0.000
 RMSDP=2.04D-06 MaxDP=2.15D-04 DE=-2.60D-08 OVMax= 4.04D-05

 Cycle  10  Pass 1  IDiag  1:
 RMSU=  8.85D-07    CP:  1.67D+00  1.17D+00  1.36D+00  1.08D+00  1.29D+00
                    CP:  1.42D+00  1.34D+00  1.17D+00  1.08D+00
 E= -765.503991442480     Delta-E=       -0.000000006220 Rises=F Damp=F
 DIIS: error= 6.24D-07 at cycle  10 NSaved=  10.
 NSaved=10 IEnMin=10 EnMin= -765.503991442480     IErMin=10 ErrMin= 6.24D-07
 ErrMax= 6.24D-07  0.00D+00 EMaxC= 1.00D-01 BMatC= 3.44D-10 BMatP= 2.97D-09
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.362D-04 0.540D-03 0.631D-03 0.190D-03-0.252D-02-0.218D-01
 Coeff-Com: -0.555D-01 0.348D-01 0.309D+00 0.735D+00
 Coeff:     -0.362D-04 0.540D-03 0.631D-03 0.190D-03-0.252D-02-0.218D-01
 Coeff:     -0.555D-01 0.348D-01 0.309D+00 0.735D+00
 Gap=     0.292 Goal=   None    Shift=    0.000
 RMSDP=5.03D-07 MaxDP=2.72D-05 DE=-6.22D-09 OVMax= 1.50D-05

 Cycle  11  Pass 1  IDiag  1:
 RMSU=  3.44D-07    CP:  1.67D+00  1.17D+00  1.36D+00  1.08D+00  1.29D+00
                    CP:  1.42D+00  1.33D+00  1.19D+00  1.11D+00  1.12D+00
 E= -765.503991443167     Delta-E=       -0.000000000687 Rises=F Damp=F
 DIIS: error= 1.93D-07 at cycle  11 NSaved=  11.
 NSaved=11 IEnMin=11 EnMin= -765.503991443167     IErMin=11 ErrMin= 1.93D-07
 ErrMax= 1.93D-07  0.00D+00 EMaxC= 1.00D-01 BMatC= 6.61D-11 BMatP= 3.44D-10
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.736D-05-0.671D-04-0.810D-05 0.115D-02 0.237D-02 0.342D-03
 Coeff-Com: -0.138D-01-0.504D-01-0.402D-01 0.307D+00 0.794D+00
 Coeff:     -0.736D-05-0.671D-04-0.810D-05 0.115D-02 0.237D-02 0.342D-03
 Coeff:     -0.138D-01-0.504D-01-0.402D-01 0.307D+00 0.794D+00
 Gap=     0.292 Goal=   None    Shift=    0.000
 RMSDP=4.45D-07 MaxDP=4.25D-05 DE=-6.87D-10 OVMax= 6.57D-06

 Cycle  12  Pass 1  IDiag  1:
 RMSU=  1.60D-07    CP:  1.67D+00  1.17D+00  1.36D+00  1.08D+00  1.29D+00
                    CP:  1.42D+00  1.33D+00  1.18D+00  1.11D+00  1.18D+00
                    CP:  1.07D+00
 E= -765.503991443140     Delta-E=        0.000000000028 Rises=F Damp=F
 DIIS: error= 7.08D-08 at cycle  12 NSaved=  12.
 NSaved=12 IEnMin=11 EnMin= -765.503991443167     IErMin=12 ErrMin= 7.08D-08
 ErrMax= 7.08D-08  0.00D+00 EMaxC= 1.00D-01 BMatC= 6.43D-12 BMatP= 6.61D-11
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.140D-05-0.813D-04-0.719D-04 0.373D-03 0.114D-02 0.233D-02
 Coeff-Com:  0.115D-02-0.199D-01-0.455D-01 0.249D-01 0.273D+00 0.763D+00
 Coeff:      0.140D-05-0.813D-04-0.719D-04 0.373D-03 0.114D-02 0.233D-02
 Coeff:      0.115D-02-0.199D-01-0.455D-01 0.249D-01 0.273D+00 0.763D+00
 Gap=     0.292 Goal=   None    Shift=    0.000
 RMSDP=1.50D-07 MaxDP=1.24D-05 DE= 2.75D-11 OVMax= 2.44D-06

 Cycle  13  Pass 1  IDiag  1:
 RMSU=  6.38D-08    CP:  1.67D+00  1.17D+00  1.36D+00  1.08D+00  1.29D+00
                    CP:  1.42D+00  1.33D+00  1.17D+00  1.10D+00  1.19D+00
                    CP:  1.11D+00  9.76D-01
 E= -765.503991443350     Delta-E=       -0.000000000211 Rises=F Damp=F
 DIIS: error= 2.62D-08 at cycle  13 NSaved=  13.
 NSaved=13 IEnMin=13 EnMin= -765.503991443350     IErMin=13 ErrMin= 2.62D-08
 ErrMax= 2.62D-08  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.22D-12 BMatP= 6.43D-12
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.165D-05-0.213D-04-0.270D-04-0.417D-04 0.763D-04 0.833D-03
 Coeff-Com:  0.254D-02 0.415D-03-0.116D-01-0.368D-01-0.189D-01 0.303D+00
 Coeff-Com:  0.760D+00
 Coeff:      0.165D-05-0.213D-04-0.270D-04-0.417D-04 0.763D-04 0.833D-03
 Coeff:      0.254D-02 0.415D-03-0.116D-01-0.368D-01-0.189D-01 0.303D+00
 Coeff:      0.760D+00
 Gap=     0.292 Goal=   None    Shift=    0.000
 RMSDP=3.66D-08 MaxDP=2.07D-06 DE=-2.11D-10 OVMax= 1.06D-06

 Cycle  14  Pass 1  IDiag  1:
 RMSU=  2.18D-08    CP:  1.67D+00  1.17D+00  1.36D+00  1.08D+00  1.29D+00
                    CP:  1.42D+00  1.33D+00  1.17D+00  1.09D+00  1.19D+00
                    CP:  1.13D+00  1.06D+00  9.97D-01
 E= -765.503991443273     Delta-E=        0.000000000077 Rises=F Damp=F
 DIIS: error= 1.61D-08 at cycle  14 NSaved=  14.
 NSaved=14 IEnMin=13 EnMin= -765.503991443350     IErMin=14 ErrMin= 1.61D-08
 ErrMax= 1.61D-08  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.53D-13 BMatP= 1.22D-12
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.253D-06 0.724D-05 0.432D-05-0.739D-04-0.164D-03-0.144D-03
 Coeff-Com:  0.505D-03 0.343D-02 0.372D-02-0.148D-01-0.515D-01-0.387D-01
 Coeff-Com:  0.218D+00 0.879D+00
 Coeff:      0.253D-06 0.724D-05 0.432D-05-0.739D-04-0.164D-03-0.144D-03
 Coeff:      0.505D-03 0.343D-02 0.372D-02-0.148D-01-0.515D-01-0.387D-01
 Coeff:      0.218D+00 0.879D+00
 Gap=     0.292 Goal=   None    Shift=    0.000
 RMSDP=1.70D-08 MaxDP=1.59D-06 DE= 7.66D-11 OVMax= 6.64D-07

 Cycle  15  Pass 1  IDiag  1:
 RMSU=  8.83D-09    CP:  1.67D+00  1.17D+00  1.36D+00  1.08D+00  1.29D+00
                    CP:  1.42D+00  1.33D+00  1.17D+00  1.09D+00  1.19D+00
                    CP:  1.13D+00  1.07D+00  1.07D+00  9.83D-01
 E= -765.503991443344     Delta-E=       -0.000000000071 Rises=F Damp=F
 DIIS: error= 6.96D-09 at cycle  15 NSaved=  15.
 NSaved=15 IEnMin=13 EnMin= -765.503991443350     IErMin=15 ErrMin= 6.96D-09
 ErrMax= 6.96D-09  0.00D+00 EMaxC= 1.00D-01 BMatC= 2.57D-14 BMatP= 1.53D-13
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.167D-06 0.490D-05 0.517D-05-0.121D-04-0.523D-04-0.151D-03
 Coeff-Com: -0.250D-03 0.749D-03 0.247D-02 0.228D-02-0.906D-02-0.596D-01
 Coeff-Com: -0.666D-01 0.217D+00 0.914D+00
 Coeff:     -0.167D-06 0.490D-05 0.517D-05-0.121D-04-0.523D-04-0.151D-03
 Coeff:     -0.250D-03 0.749D-03 0.247D-02 0.228D-02-0.906D-02-0.596D-01
 Coeff:     -0.666D-01 0.217D+00 0.914D+00
 Gap=     0.292 Goal=   None    Shift=    0.000
 RMSDP=8.92D-09 MaxDP=1.05D-06 DE=-7.07D-11 OVMax= 2.79D-07

 Cycle  16  Pass 1  IDiag  1:
 RMSU=  3.86D-09    CP:  1.67D+00  1.17D+00  1.36D+00  1.08D+00  1.29D+00
                    CP:  1.42D+00  1.33D+00  1.17D+00  1.09D+00  1.18D+00
                    CP:  1.13D+00  1.07D+00  1.09D+00  1.07D+00  1.01D+00
 E= -765.503991443344     Delta-E=        0.000000000000 Rises=F Damp=F
 DIIS: error= 2.74D-09 at cycle  16 NSaved=  16.
 NSaved=16 IEnMin=13 EnMin= -765.503991443350     IErMin=16 ErrMin= 2.74D-09
 ErrMax= 2.74D-09  0.00D+00 EMaxC= 1.00D-01 BMatC= 5.21D-15 BMatP= 2.57D-14
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.113D-06-0.118D-06 0.693D-06 0.126D-04 0.199D-04-0.155D-04
 Coeff-Com: -0.189D-03-0.494D-03-0.668D-04 0.414D-02 0.904D-02-0.939D-02
 Coeff-Com: -0.631D-01-0.125D+00 0.253D+00 0.932D+00
 Coeff:     -0.113D-06-0.118D-06 0.693D-06 0.126D-04 0.199D-04-0.155D-04
 Coeff:     -0.189D-03-0.494D-03-0.668D-04 0.414D-02 0.904D-02-0.939D-02
 Coeff:     -0.631D-01-0.125D+00 0.253D+00 0.932D+00
 Gap=     0.292 Goal=   None    Shift=    0.000
 RMSDP=3.10D-09 MaxDP=2.23D-07 DE= 0.00D+00 OVMax= 1.52D-07

 SCF Done:  E(RLC-PBE+HF-PBE) =  -765.503991443     A.U. after   16 cycles
            NFock= 16  Conv=0.31D-08     -V/T= 2.0045
 KE= 7.620856047339D+02 PE=-4.059144251437D+03 EE= 1.395075245416D+03
 Leave Link  502 at Mon Aug 16 21:41:09 2021, MaxMem=  5637144576 cpu:            5930.2 elap:             743.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l801.exe)
 DoSCS=F DFT=T ScalE2(SS,OS)=  1.000000  1.000000
 Range of M.O.s used for correlation:     1   513
 NBasis=   517 NAE=    61 NBE=    61 NFC=     0 NFV=     0
 NROrb=    513 NOA=    61 NOB=    61 NVA=   452 NVB=   452

 **** Warning!!: The largest alpha MO coefficient is  0.10111106D+03

 Leave Link  801 at Mon Aug 16 21:41:09 2021, MaxMem=  5637144576 cpu:               0.7 elap:               0.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1002.exe)
 Minotr:  Closed shell wavefunction.
          Direct CPHF calculation.
          Differentiating once with respect to electric field.
                with respect to dipole field.
                with respect to quadrupole field.
          Differentiating once with respect to magnetic field using GIAOs.
          Electric field/nuclear overlap derivatives assumed to be zero.
          Requested convergence is 1.0D-08 RMS, and 1.0D-07 maximum.
          Secondary convergence is 1.0D-12 RMS, and 1.0D-12 maximum.
          NewPWx=F KeepS1=T KeepF1=T KeepIn=T MapXYZ=F SortEE=F KeepMc=T.
         9624 words used for storage of precomputed grid.
 Two-electron integral symmetry used by symmetrizing perturbed Fock matrices.
          MDV=    5637144576 using IRadAn=       1.
          Solving linear equations simultaneously, MaxMat=     384.
          Doing perturbations at frequencies    0.088559
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=           0
         NFxFlg=           0 DoJE=F BraDBF=F KetDBF=T FulRan=T
         wScrn=  0.000000 ICntrl=      6100 IOpCl=  0 I1Cent=           7 NGrid=          31
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Symmetry not used in FoFCou.
 FoFJK:  IHMeth= 1 ICntrl=    6127 DoSepK=T KAlg= 0 I1Cent=           0 FoldK=F
 IRaf=         1 NMat=       1 IRICut=       1 DoRegI=T DoRafI=F ISym2E= 0 IDoP0=0 IntGTp=1.
 CalDSu exits because no D1Ps are significant.
          There are    12 degrees of freedom in the 1st order CPHF.  IDoFFX=0 NUNeed=    12.
     11 vectors produced by pass  0 Test12= 4.60D-13 8.33D-09 XBig12= 1.00D+00 4.90D-01.
 AX will form    11 AO Fock derivatives at one time.
     11 vectors produced by pass  1 Test12= 4.60D-13 8.33D-09 XBig12= 2.63D-01 1.08D-01.
     11 vectors produced by pass  2 Test12= 4.60D-13 8.33D-09 XBig12= 8.22D-02 1.21D-01.
     11 vectors produced by pass  3 Test12= 4.60D-13 8.33D-09 XBig12= 1.21D-02 4.00D-02.
     11 vectors produced by pass  4 Test12= 4.60D-13 8.33D-09 XBig12= 3.21D-03 1.95D-02.
     11 vectors produced by pass  5 Test12= 4.60D-13 8.33D-09 XBig12= 6.71D-04 7.63D-03.
     11 vectors produced by pass  6 Test12= 4.60D-13 8.33D-09 XBig12= 5.61D-05 2.22D-03.
     11 vectors produced by pass  7 Test12= 4.60D-13 8.33D-09 XBig12= 3.58D-06 3.46D-04.
     11 vectors produced by pass  8 Test12= 4.60D-13 8.33D-09 XBig12= 2.24D-07 7.66D-05.
     11 vectors produced by pass  9 Test12= 4.60D-13 8.33D-09 XBig12= 9.40D-09 1.04D-05.
     11 vectors produced by pass 10 Test12= 4.60D-13 8.33D-09 XBig12= 3.69D-10 2.19D-06.
     10 vectors produced by pass 11 Test12= 4.60D-13 8.33D-09 XBig12= 1.20D-11 3.91D-07.
      7 vectors produced by pass 12 Test12= 4.60D-13 8.33D-09 XBig12= 4.66D-13 7.28D-08.
      1 vectors produced by pass 13 Test12= 4.60D-13 8.33D-09 XBig12= 5.08D-14 1.24D-08.
 InvSVY:  IOpt=1 It=  1 EMax= 7.82D-14
 Solved reduced A of dimension   139 with    12 vectors.
 FullF1:  Do perturbations      1 to      12.
 SCF Polarizability for W=    0.088559:
                1             2             3 
      1  0.305334D+03
      2 -0.113324D+02  0.180890D+03
      3 -0.102239D+02 -0.813863D+01  0.125713D+03
 Isotropic polarizability for W=    0.088559      203.98 Bohr**3.
 Dipole-quadrupole polarizability for W=    0.088559:
                 1             2             3 
      1   0.337279D+03 -0.958577D+02 -0.143269D+02
      2  -0.149368D+03  0.785204D+02 -0.120068D+02
      3  -0.187911D+03  0.173373D+02  0.263338D+02
      4  -0.167454D+02  0.125654D+03 -0.456790D+02
      5   0.461343D+02 -0.543253D+02 -0.649374D+02
      6  -0.257046D+02  0.408167D+02  0.259748D+02
 Dipole-magnetic dipole polarizability for W=    0.088559:
                 1             2             3 
      1  -0.108424D+02  0.197126D+02 -0.161786D+02
      2  -0.261969D+02 -0.139401D+02 -0.309470D+02
      3   0.497642D+02 -0.591572D+02  0.223118D+02
 DQ contribution to OR G for W=    0.088559:
                 1             2             3 
      1  -0.864638D+01  0.528235D+02 -0.863747D+01
      2  -0.604613D+02 -0.199744D+02  0.122974D+03
      3   0.791122D+02 -0.275022D+03  0.286208D+02
 Optical Rotation G' tensor for W=    0.088559:
                 1             2             3 
      1   0.202424D+01  0.666356D+00  0.412961D+00
      2   0.666356D+00  0.741093D+00  0.352006D+01
      3   0.412961D+00  0.352006D+01 -0.523607D+01
 OR G Eigenvalues:    -6.8661     1.4007     2.9947  Iso=     0.8236
 Eigenvectors:
   (1)  -0.010754  -0.419146   0.907855
   (2)   0.779809  -0.571831  -0.254770
   (3)   0.625925   0.705213   0.333003
 w=    0.088559 a.u., Optical Rotation Beta=      0.8236 au.
 Molar Mass =    230.2628 grams/mole, [Alpha] ( 5145.0 A) =      181.37 deg.
 PxScal for PaGxPb-FJK:  IOpCl= 0 ISclPx=1 IMOff=     1 NMtTot=    25 NTT=  133903 ScalPx= 3.01D+02
 PxSclF for G(T1ab):  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    36 NTT=  133903 IRwP= 19996     0 IPTmp= 19977     0 ScalPx= 8.02D+03
 FullF1:  Do perturbations      1 to      30.
          There are    36 degrees of freedom in the 2nd order CPHF.
     30 vectors produced by pass  0 Test12= 7.66D-14 2.78D-09 XBig12= 1.00D+00 3.70D-01.
     30 vectors produced by pass  1 Test12= 7.66D-14 2.78D-09 XBig12= 8.07D-02 6.48D-02.
     30 vectors produced by pass  2 Test12= 7.66D-14 2.78D-09 XBig12= 1.01D-02 2.73D-02.
     30 vectors produced by pass  3 Test12= 7.66D-14 2.78D-09 XBig12= 2.50D-04 2.66D-03.
     30 vectors produced by pass  4 Test12= 7.66D-14 2.78D-09 XBig12= 1.05D-05 4.00D-04.
     30 vectors produced by pass  5 Test12= 7.66D-14 2.78D-09 XBig12= 2.62D-07 4.95D-05.
     30 vectors produced by pass  6 Test12= 7.66D-14 2.78D-09 XBig12= 4.82D-09 8.11D-06.
     30 vectors produced by pass  7 Test12= 7.66D-14 2.78D-09 XBig12= 7.22D-11 7.92D-07.
     30 vectors produced by pass  8 Test12= 7.66D-14 2.78D-09 XBig12= 1.13D-12 1.21D-07.
     12 vectors produced by pass  9 Test12= 7.66D-14 2.78D-09 XBig12= 3.32D-14 1.38D-08.
      3 vectors produced by pass 10 Test12= 7.66D-14 2.78D-09 XBig12= 1.86D-14 9.49D-09.
      3 vectors produced by pass 11 Test12= 7.66D-14 2.78D-09 XBig12= 2.88D-15 4.15D-09.
      1 vectors produced by pass 12 Test12= 7.66D-14 2.78D-09 XBig12= 2.39D-15 3.43D-09.
 InvSVY:  IOpt=1 It=  1 EMax= 2.44D-15
 Solved reduced A of dimension   289 with    30 vectors.
 PxScal for FxTab-FJK:  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    30 NTT=  133903 ScalPx= 9.17D+03
 PxScal for FxTab-XC:  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    30 NTT=  133903 ScalPx= 9.17D+03
 PxSclF for G(Xab):  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    36 NTT=  133903 IRwP= 19978     0 IPTmp= 19973     0 ScalPx= 5.73D+03
 FullF1:  Do perturbations      1 to      30.
 End of Minotr F.D. properties on file   721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.088559
 Property number 1 -- Alpha(-w,w) frequency  1    0.088559:
                 1             2             3 
      1   0.305334D+03 -0.113324D+02 -0.102239D+02
      2  -0.113324D+02  0.180890D+03 -0.813863D+01
      3  -0.102239D+02 -0.813863D+01  0.125713D+03
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.088559:
                 1             2             3 
      1  -0.108424D+02  0.197126D+02 -0.161786D+02
      2  -0.261969D+02 -0.139401D+02 -0.309470D+02
      3   0.497642D+02 -0.591572D+02  0.223118D+02
 Property number 4 -- D-Q polarizability frequency  1    0.088559:
                 1             2             3 
      1   0.337279D+03 -0.958577D+02 -0.143269D+02
      2  -0.149368D+03  0.785204D+02 -0.120068D+02
      3  -0.187911D+03  0.173373D+02  0.263338D+02
      4  -0.167454D+02  0.125654D+03 -0.456790D+02
      5   0.461343D+02 -0.543253D+02 -0.649374D+02
      6  -0.257046D+02  0.408167D+02  0.259748D+02
 End of Minotr F.D. properties on file   722 Mask=       B NFrqRd=     1 NDeriv=    93 ND12= 1 LenFil=    3351:
 Frequencies=    0.088559
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1  -0.382423D+02  0.738183D+01  0.622637D+00 -0.370033D+02  0.111614D+02
      2   0.738183D+01 -0.326658D+01  0.178737D-01  0.111614D+02 -0.110041D+02
      3   0.622637D+00  0.178737D-01  0.651725D-01  0.126616D+00  0.122925D+01
                 6             7             8             9            10 
      1   0.126616D+00  0.970418D+01 -0.281501D+01 -0.917000D+00  0.467244D+02
      2   0.122925D+01 -0.281501D+01  0.182431D+01 -0.138991D+01 -0.101600D+02
      3   0.408872D+00 -0.917000D+00 -0.138991D+01  0.613617D+00 -0.840931D+00
                11            12            13            14            15 
      1  -0.101600D+02 -0.840931D+00  0.346691D+02 -0.966766D+01 -0.242243D-01
      2   0.695881D+01 -0.738552D+00 -0.966766D+01  0.892199D+01 -0.857524D+00
      3  -0.738552D+00 -0.435106D+00 -0.242243D-01 -0.857524D+00 -0.281675D+00
                16            17            18            19            20 
      1  -0.942915D+01  0.279372D+01  0.152344D+01  0.344181D+02 -0.734292D+01
      2   0.279372D+01 -0.174243D+01  0.121336D+01 -0.734292D+01  0.469414D+01
      3   0.152344D+01  0.121336D+01 -0.400497D+00 -0.170709D+00 -0.533291D+00
                21            22            23            24            25 
      1  -0.170709D+00 -0.253477D+02  0.405677D+01 -0.306657D+00  0.323863D+01
      2  -0.533291D+00  0.405677D+01 -0.496721D+01 -0.211153D+00 -0.852534D+00
      3   0.111103D+00 -0.306657D+00 -0.211153D+00 -0.163846D+01 -0.111612D+01
                26            27            28            29            30 
      1  -0.852534D+00 -0.111612D+01 -0.480606D+02  0.585613D+01  0.512899D+00
      2  -0.411735D+00 -0.270948D+01  0.585613D+01 -0.316152D+01 -0.219141D+00
      3  -0.270948D+01  0.163991D+01  0.512899D+00 -0.219141D+00 -0.203640D+01
                31            32            33            34            35 
      1   0.134991D+02 -0.210560D+01 -0.117798D+01 -0.430311D+01 -0.726722D+00
      2  -0.210560D+01  0.907892D+01 -0.130779D+01 -0.726722D+00 -0.811404D+00
      3  -0.117798D+01 -0.130779D+01  0.242189D+00 -0.644905D+01  0.103952D+01
                36            37            38            39            40 
      1  -0.644905D+01 -0.644337D+00 -0.564778D-01  0.146282D+00  0.106320D+02
      2   0.103952D+01 -0.564778D-01 -0.945651D+01  0.150822D+01 -0.165487D+01
      3   0.390073D+00  0.146282D+00  0.150822D+01 -0.216615D+01 -0.499378D+00
                41            42            43            44            45 
      1  -0.165487D+01 -0.499378D+00 -0.246964D+01 -0.424720D+00 -0.478025D+01
      2  -0.120564D+01  0.125433D+01 -0.424720D+00  0.224152D+01  0.322866D+01
      3   0.125433D+01  0.147594D+01 -0.478025D+01  0.322866D+01 -0.794696D+00
                46            47            48            49            50 
      1   0.605140D+01 -0.201857D+01  0.152091D+00  0.185964D+01 -0.203418D+01
      2  -0.201857D+01  0.754037D+01 -0.484001D+00 -0.203418D+01  0.205719D+00
      3   0.152091D+00 -0.484001D+00  0.209453D+01  0.558825D+00  0.101842D+01
                51            52            53            54            55 
      1   0.558825D+00 -0.389870D+00  0.803244D+00  0.990982D+00 -0.113902D+02
      2   0.101842D+01  0.803244D+00  0.977798D+00  0.370825D+01  0.420332D+01
      3   0.786499D+00  0.990982D+00  0.370825D+01 -0.181713D+01 -0.222033D+00
                56            57            58            59            60 
      1   0.420332D+01 -0.222033D+00  0.271846D+01  0.117538D+00 -0.677608D+00
      2  -0.104646D+02  0.107997D+01  0.117538D+00  0.136339D+01 -0.116489D+01
      3   0.107997D+01 -0.217057D+01 -0.677608D+00 -0.116489D+01 -0.858768D+00
                61            62            63            64            65 
      1  -0.893019D-01 -0.885583D+00 -0.145924D+01 -0.240018D+01 -0.232857D+01
      2  -0.885583D+00 -0.808272D+00 -0.336950D+01 -0.232857D+01 -0.144314D+01
      3  -0.145924D+01 -0.336950D+01  0.194018D+01  0.537272D+00  0.315755D+00
                66            67            68            69            70 
      1   0.537272D+00 -0.340286D+01 -0.291593D+01  0.758110D+00  0.891476D+00
      2   0.315755D+00 -0.291593D+01 -0.508949D+01  0.100763D+01  0.703535D+00
      3  -0.507716D+00  0.758110D+00  0.100763D+01 -0.103929D+01 -0.242616D+00
                71            72            73            74            75 
      1   0.703535D+00 -0.242616D+00 -0.465599D+01  0.319760D+01 -0.232317D+00
      2   0.948195D+00 -0.370192D+00  0.319760D+01 -0.346697D+01  0.352758D+00
      3  -0.370192D+00  0.294375D+00 -0.232317D+00  0.352758D+00 -0.389111D+00
                76            77            78            79            80 
      1   0.362079D+01 -0.455267D+01  0.663214D+00 -0.287648D+00  0.726407D+00
      2  -0.455267D+01  0.786039D+01 -0.873308D+00  0.726407D+00 -0.110956D+01
      3   0.663214D+00 -0.873308D+00  0.930348D+00  0.362800D+00  0.315545D+00
                81            82            83            84            85 
      1   0.362800D+00  0.174466D+01  0.216789D+01 -0.476905D+00  0.118870D+01
      2   0.315545D+00  0.216789D+01  0.329518D+01 -0.659372D+00  0.250464D+01
      3  -0.242551D+00 -0.476905D+00 -0.659372D+00  0.488750D+00 -0.443494D+00
                86            87            88            89            90 
      1   0.250464D+01 -0.443494D+00 -0.293693D+00 -0.539716D+00  0.204288D+00
      2   0.895106D+01 -0.157451D+01 -0.539716D+00 -0.185190D+01  0.452302D+00
      3  -0.157451D+01  0.120077D+01  0.204288D+00  0.452302D+00 -0.305210D+00
                91            92            93            94            95 
      1   0.172854D+02 -0.169148D+01  0.418339D+00  0.447737D+01  0.798903D+00
      2  -0.169148D+01  0.143521D+01  0.667561D+00  0.798903D+00 -0.346642D+01
      3   0.418339D+00  0.667561D+00  0.283354D+01  0.298556D+00  0.177041D+01
                96            97            98            99           100 
      1   0.298556D+00 -0.238127D+01  0.124575D+01  0.767058D+01  0.853031D+01
      2   0.177041D+01  0.124575D+01  0.162137D+01 -0.865543D-01 -0.702381D+00
      3   0.897722D+00  0.767058D+01 -0.865543D-01 -0.124810D+01 -0.189405D+01
               101           102           103           104           105 
      1  -0.702381D+00 -0.189405D+01 -0.244005D+01 -0.165807D+01 -0.181258D+00
      2  -0.163929D+01 -0.527073D+00 -0.165807D+01  0.145797D+01 -0.347262D+01
      3  -0.527073D+00 -0.228682D+01 -0.181258D+00 -0.347262D+01 -0.135457D+01
               106           107           108           109           110 
      1   0.579395D+01 -0.909141D+00 -0.505870D+01  0.645687D+01  0.368949D+01
      2  -0.909141D+00 -0.244243D+01 -0.643390D+00  0.368949D+01  0.113172D+01
      3  -0.505870D+01 -0.643390D+00  0.227461D+01 -0.112451D+01 -0.132051D+00
               111           112           113           114           115 
      1  -0.112451D+01  0.405138D+00  0.124499D+01 -0.872807D+00 -0.882190D+01
      2  -0.132051D+00  0.124499D+01  0.450678D+00 -0.700611D+00 -0.147353D+01
      3  -0.102974D+01 -0.872807D+00 -0.700611D+00 -0.293159D+00 -0.423660D+01
               116           117           118           119           120 
      1  -0.147353D+01 -0.423660D+01 -0.395671D+00  0.199830D+01 -0.610570D+00
      2  -0.163591D+01 -0.200999D+00  0.199830D+01 -0.185760D+01 -0.148214D-02
      3  -0.200999D+00  0.420125D+00 -0.610570D+00 -0.148214D-02 -0.122496D+01
               121           122           123           124           125 
      1   0.450233D+01 -0.223532D+01  0.143355D+00 -0.134899D+01  0.131685D+00
      2  -0.223532D+01  0.594753D+01 -0.913915D+00  0.131685D+00 -0.132070D+01
      3   0.143355D+00 -0.913915D+00  0.146593D+01 -0.142301D+01  0.102525D+01
               126           127           128           129           130 
      1  -0.142301D+01  0.212552D+00 -0.562019D+00  0.102106D+00 -0.219816D+01
      2   0.102525D+01 -0.562019D+00  0.769162D+00 -0.281816D+00  0.332822D-01
      3  -0.425021D+00  0.102106D+00 -0.281816D+00  0.127572D+01  0.641258D+00
               131           132           133           134           135 
      1   0.332822D-01  0.641258D+00  0.342755D+00  0.702026D-01  0.150360D+00
      2  -0.399949D+01  0.222098D+01  0.702026D-01  0.160918D+01 -0.115737D+01
      3   0.222098D+01 -0.281915D+01  0.150360D+00 -0.115737D+01  0.182888D+01
               136           137           138           139           140 
      1  -0.153280D+02  0.803814D+00  0.375939D+01  0.480747D+00 -0.112161D+01
      2   0.803814D+00 -0.952637D+00 -0.322090D+00 -0.112161D+01  0.661135D-01
      3   0.375939D+01 -0.322090D+00 -0.261647D+01 -0.248393D+00  0.673813D+00
               141           142           143           144           145 
      1  -0.248393D+00  0.115740D+01  0.103934D+00 -0.115365D+01  0.137658D-02
      2   0.673813D+00  0.103934D+00  0.128193D+00  0.825634D-01  0.725736D+00
      3   0.151180D+00 -0.115365D+01  0.825634D-01  0.391991D+00  0.621068D+00
               146           147           148           149           150 
      1   0.725736D+00  0.621068D+00  0.158749D+01  0.871942D-01 -0.321257D+00
      2   0.104210D+01  0.845519D+00  0.871942D-01  0.302481D+01  0.279788D+01
      3   0.845519D+00  0.206762D+01 -0.321257D+00  0.279788D+01  0.372082D+01
               151           152           153           154           155 
      1   0.318941D+00  0.477332D-01  0.164173D+00 -0.176418D+02 -0.463765D+01
      2   0.477332D-01  0.215631D+01  0.229829D+01 -0.463765D+01 -0.256877D+01
      3   0.164173D+00  0.229829D+01  0.448918D+01  0.465103D+00 -0.460137D+00
               156           157           158           159           160 
      1   0.465103D+00 -0.733605D+01 -0.540579D+01  0.403539D+00  0.838451D+00
      2  -0.460137D+00 -0.540579D+01 -0.398731D+01  0.268463D+00  0.492983D+00
      3  -0.267043D+01  0.403539D+00  0.268463D+00 -0.125761D+01 -0.214078D+01
               161           162           163           164           165 
      1   0.492983D+00 -0.214078D+01 -0.127575D+02 -0.287082D+01 -0.333635D+01
      2   0.109556D+01 -0.942459D+00 -0.287082D+01 -0.308684D+00  0.579379D-01
      3  -0.942459D+00  0.137480D+01 -0.333635D+01  0.579379D-01 -0.120067D+01
               166           167           168           169           170 
      1  -0.634254D+01 -0.708620D+00 -0.884966D+00  0.138549D+01  0.449165D+00
      2  -0.708620D+00 -0.859578D+00 -0.172206D+01  0.449165D+00 -0.365020D+00
      3  -0.884966D+00 -0.172206D+01 -0.197126D+01 -0.599871D+00 -0.986633D+00
               171           172           173           174           175 
      1  -0.599871D+00  0.108804D+02  0.235223D+01  0.141245D+01  0.734614D+01
      2  -0.986633D+00  0.235223D+01  0.683644D+00  0.399594D+00  0.813243D+00
      3  -0.742000D+01  0.141245D+01  0.399594D+00  0.291756D+01  0.125380D+01
               176           177           178           179           180 
      1   0.813243D+00  0.125380D+01  0.457280D+01  0.519297D+00  0.187132D+01
      2   0.354471D+00 -0.565482D+00  0.519297D+00 -0.105397D+01  0.542913D+00
      3  -0.565482D+00  0.150480D+01  0.187132D+01  0.542913D+00 -0.128351D+01
               181           182           183           184           185 
      1   0.107404D+02 -0.132964D+01 -0.782298D-01 -0.751610D+01  0.153696D+01
      2  -0.132964D+01  0.108242D+02 -0.189436D+01  0.153696D+01  0.285408D+01
      3  -0.782298D-01 -0.189436D+01  0.243232D+01  0.831133D+00 -0.164476D+01
               186           187           188           189           190 
      1   0.831133D+00  0.118755D+01  0.337423D+00  0.427407D+01  0.305103D+02
      2  -0.164476D+01  0.337423D+00 -0.268740D+01 -0.333896D+01 -0.491250D+01
      3  -0.132939D+01  0.427407D+01 -0.333896D+01  0.913278D+00 -0.247952D+00
               191           192           193           194           195 
      1  -0.491250D+01 -0.247952D+00 -0.218504D+02  0.253689D+01  0.203485D+01
      2   0.551709D+01 -0.142298D+00  0.253689D+01 -0.137256D+02  0.199664D+01
      3  -0.142298D+00  0.367377D+01  0.203485D+01  0.199664D+01 -0.148401D+01
               196           197           198           199           200 
      1   0.277004D+01  0.934256D+00  0.615730D+01 -0.373288D+02  0.874748D+01
      2   0.934256D+00  0.155789D+01 -0.194240D+01  0.874748D+01 -0.824333D+01
      3   0.615730D+01 -0.194240D+01 -0.227559D+00  0.685133D+00  0.134636D+01
               201           202           203           204           205 
      1   0.685133D+00  0.247232D+02 -0.317916D+01 -0.679973D+00 -0.176805D+01
      2   0.134636D+01 -0.317916D+01  0.673844D+01  0.458363D-01  0.339481D+00
      3  -0.509020D-01 -0.679973D+00  0.458363D-01  0.246761D+01  0.548956D+00
               206           207           208           209           210 
      1   0.339481D+00  0.548956D+00 -0.383779D+01  0.376876D-01  0.176863D+00
      2   0.662341D+00  0.336561D+01  0.376876D-01 -0.249131D+01  0.360816D+00
      3   0.336561D+01 -0.180863D+01  0.176863D+00  0.360816D+00 -0.436200D+00
               211           212           213           214           215 
      1   0.147666D+01  0.251590D+01 -0.346126D+00  0.727286D-01 -0.386172D+00
      2   0.251590D+01 -0.182368D+01  0.309512D+00 -0.386172D+00  0.342599D+00
      3  -0.346126D+00  0.309512D+00  0.119428D+01  0.664090D+00 -0.534088D+00
               216           217           218           219           220 
      1   0.664090D+00 -0.131059D+01  0.212587D+01 -0.306245D+00  0.144718D+01
      2  -0.534088D+00  0.212587D+01  0.236574D+01 -0.654738D+00 -0.210347D+01
      3  -0.999805D-01 -0.306245D+00 -0.654738D+00  0.138553D+01 -0.487994D+00
               221           222           223           224           225 
      1  -0.210347D+01 -0.487994D+00 -0.437516D+00 -0.402606D+00 -0.170865D+01
      2   0.234279D+00 -0.181752D+01 -0.402606D+00 -0.173282D+01 -0.362376D+01
      3  -0.181752D+01 -0.570916D+01 -0.170865D+01 -0.362376D+01  0.269056D+01
               226           227           228           229           230 
      1  -0.141271D+01 -0.176131D+01  0.416267D+00 -0.705736D+00 -0.200611D+01
      2  -0.176131D+01 -0.334299D+01  0.664265D+00 -0.200611D+01 -0.860742D+01
      3   0.416267D+00  0.664265D+00 -0.503549D+00  0.398982D+00  0.152277D+01
               231           232           233           234           235 
      1   0.398982D+00  0.261573D+00  0.501505D+00  0.108169D+00  0.479813D+01
      2   0.152277D+01  0.501505D+00  0.168918D+01 -0.574330D+00 -0.385898D+01
      3  -0.121879D+01  0.108169D+00 -0.574330D+00  0.332051D+00  0.395094D+00
               236           237           238           239           240 
      1  -0.385898D+01  0.395094D+00 -0.454522D+01  0.527480D+01 -0.786694D+00
      2   0.411722D+01 -0.409179D+00  0.527480D+01 -0.813675D+01  0.934620D+00
      3  -0.409179D+00  0.597430D+00 -0.786694D+00  0.934620D+00 -0.103349D+01
               241           242           243           244           245 
      1   0.459785D+00 -0.750771D+00 -0.215282D+00  0.278185D+01  0.248024D+01
      2  -0.750771D+00  0.111018D+01 -0.333507D+00  0.248024D+01  0.143060D+01
      3  -0.215282D+00 -0.333507D+00  0.263176D+00 -0.624133D+00 -0.386630D+00
               246           247           248           249           250 
      1  -0.624133D+00  0.413182D+01  0.302788D+01 -0.769917D+00 -0.946205D+00
      2  -0.386630D+00  0.302788D+01  0.525990D+01 -0.105308D+01 -0.726894D+00
      3   0.330901D+00 -0.769917D+00 -0.105308D+01  0.877074D+00  0.196383D+00
               251           252           253           254           255 
      1  -0.726894D+00  0.196383D+00 -0.114346D+01 -0.487717D+00 -0.339105D+00
      2  -0.109831D+01  0.108544D+00 -0.487717D+00 -0.179886D+00  0.131988D+00
      3   0.108544D+00 -0.133344D+00 -0.339105D+00  0.131988D+00 -0.116663D+01
               256           257           258           259           260 
      1   0.909192D+00  0.143549D+01 -0.102321D+01 -0.388012D+01 -0.139048D+01
      2   0.143549D+01  0.137699D+01 -0.145652D+01 -0.139048D+01 -0.143559D+01
      3  -0.102321D+01 -0.145652D+01  0.255328D+01  0.309092D+01  0.225118D+01
               261           262           263           264           265 
      1   0.309092D+01  0.158120D+02 -0.100902D+01 -0.711428D+00 -0.372271D+01
      2   0.225118D+01 -0.100902D+01  0.100508D+01  0.119174D+00  0.139846D+01
      3  -0.655716D+01 -0.711428D+00  0.119174D+00  0.121315D+01  0.255633D+00
               266           267           268           269           270 
      1   0.139846D+01  0.255633D+00 -0.222882D+00  0.101116D+00  0.146738D+01
      2  -0.746586D+00  0.538106D-01  0.101116D+00  0.144775D+00  0.172687D+00
      3   0.538106D-01 -0.195195D+00  0.146738D+01  0.172687D+00 -0.326188D+00
               271           272           273           274           275 
      1  -0.398226D+00 -0.375923D-01  0.792470D+00  0.273586D+01  0.280480D+01
      2  -0.375923D-01  0.335888D-01 -0.215785D-01  0.280480D+01  0.347256D+01
      3   0.792470D+00 -0.215785D-01 -0.595660D+00  0.136406D+01  0.223138D+01
               276           277           278           279 
      1   0.136406D+01  0.407360D+01  0.198244D+01  0.205562D+01
      2   0.223138D+01  0.198244D+01  0.239806D+01  0.239887D+01
      3   0.260666D+01  0.205562D+01  0.239887D+01  0.323278D+01
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1   0.358596D+01  0.183944D+01 -0.107242D+01  0.353732D+01 -0.201849D+01
      2   0.810913D+01  0.321203D+01 -0.731761D+00  0.820097D+01 -0.513498D+01
      3   0.831303D+01  0.208953D+02 -0.467476D+01  0.274105D+02 -0.244615D+02
                 6             7             8             9            10 
      1   0.142953D+00 -0.605479D+01  0.868122D+01 -0.133814D+01 -0.798724D+00
      2   0.275979D+01 -0.206744D+02  0.412161D+01  0.597896D-01 -0.617304D+01
      3   0.276273D+01 -0.133251D+01  0.196496D+01  0.531604D+00  0.274681D+02
                11            12            13            14            15 
      1   0.306555D+01 -0.925616D+00 -0.115063D+01  0.103235D+01  0.935107D+00
      2   0.443868D+01 -0.687757D+01  0.293798D+00 -0.380610D+01  0.489538D+00
      3   0.190270D+02 -0.415291D+01  0.540168D+02 -0.314462D+02  0.272731D+01
                16            17            18            19            20 
      1  -0.622784D+01  0.870074D+01 -0.135533D+01 -0.416254D+01 -0.442406D+00
      2  -0.206058D+02  0.376779D+01  0.812526D+00 -0.908990D+01 -0.251206D+01
      3  -0.763244D+01  0.327197D+01 -0.171681D+00 -0.410765D+01 -0.220110D+02
                21            22            23            24            25 
      1   0.578406D+00 -0.349689D+00  0.313916D+00 -0.131069D+01 -0.817565D+01
      2   0.102784D+01  0.189075D+01  0.160762D+01  0.792082D+00 -0.176501D+02
      3   0.471207D+01 -0.534337D+01  0.474638D+01 -0.188884D+01  0.640288D+01
                26            27            28            29            30 
      1   0.436954D+01 -0.121856D+01  0.499612D+00  0.155442D+01  0.391240D+00
      2   0.761274D+01 -0.858299D+00  0.685662D+01  0.154288D+01  0.722882D-01
      3  -0.206701D+01 -0.633271D+00 -0.241485D+02  0.111678D+02 -0.135899D+01
                31            32            33            34            35 
      1   0.529944D+01  0.364482D+01  0.121072D+01  0.438061D+01  0.127651D+02
      2  -0.514763D-01  0.653871D+00  0.545835D+00 -0.142064D+02  0.775659D+00
      3   0.302564D+02 -0.358296D-01 -0.158742D+01 -0.169951D+01 -0.324213D+01
                36            37            38            39            40 
      1  -0.205064D+01  0.200397D+00 -0.116986D+00  0.582735D+01  0.135909D+01
      2   0.117740D+01 -0.346203D+01 -0.101337D+01  0.762263D+00 -0.299439D+01
      3  -0.247581D+01 -0.937741D+01 -0.337715D+01  0.975922D-01  0.121287D+02
                41            42            43            44            45 
      1  -0.976527D+00 -0.269740D+01  0.162122D+02  0.136415D+01 -0.397094D+00
      2  -0.322422D+01 -0.163064D+01 -0.998419D+01 -0.659364D+01  0.230135D+01
      3  -0.674568D+01  0.340431D+00 -0.341448D+01  0.168226D+01 -0.501447D+01
                46            47            48            49            50 
      1  -0.100737D+01 -0.193102D+01 -0.573292D+01 -0.238023D+01  0.659738D+00
      2   0.350155D+01 -0.308668D+01  0.220812D+01 -0.545794D+01  0.509391D+01
      3   0.227824D+02 -0.213657D+02  0.329492D+01 -0.889279D+01  0.229905D+02
                51            52            53            54            55 
      1  -0.231881D+01 -0.107529D+02 -0.212407D+01  0.287842D+01  0.151445D+01
      2  -0.116640D+01 -0.152119D+02  0.161581D+01  0.134886D+01  0.555707D+01
      3  -0.268262D+01  0.370145D+01 -0.227947D+01  0.495902D+01  0.320007D+02
                56            57            58            59            60 
      1  -0.385850D+01 -0.587034D+01 -0.219391D+01  0.131215D+01 -0.188531D+01
      2  -0.380248D+01 -0.409595D+01 -0.547123D+01  0.360590D+01 -0.195655D+01
      3  -0.113477D+02  0.234048D+01 -0.662193D+01  0.232654D+02 -0.137645D+01
                61            62            63            64            65 
      1  -0.107867D+02 -0.148018D+01  0.205241D+01 -0.297478D+00 -0.557258D+00
      2  -0.205429D+02 -0.161455D+01  0.492118D+01  0.113783D+01  0.746595D+00
      3   0.451789D+01 -0.960082D+00  0.118709D+02  0.183124D+01 -0.287418D+00
                66            67            68            69            70 
      1  -0.181000D+01 -0.722921D+00 -0.155285D+01 -0.301961D+01 -0.872328D+00
      2   0.592492D+00  0.123099D+01 -0.224407D-01  0.200925D+01 -0.277154D+01
      3   0.838814D-01  0.405295D+01 -0.521671D+01  0.798928D+00 -0.239727D+00
                71            72            73            74            75 
      1   0.230471D+01  0.352233D+00 -0.268017D+00  0.223387D+00  0.234720D+01
      2  -0.669339D+00 -0.300501D-01 -0.782129D+00 -0.212937D+00  0.139904D+01
      3   0.805237D+00  0.545021D+00 -0.850016D+01  0.109219D+01  0.616710D-01
                76            77            78            79            80 
      1  -0.113430D+01  0.795259D+00 -0.433024D+01 -0.291077D+01  0.177643D+01
      2  -0.476636D+00  0.687455D+00 -0.250136D+01 -0.196932D+01  0.284829D-01
      3   0.429992D+01  0.156953D+01  0.397839D+00  0.431204D+00 -0.419322D+00
                81            82            83            84            85 
      1   0.542868D+00  0.790608D+00  0.497337D+00 -0.221503D+01  0.680350D+00
      2   0.541763D+00  0.998335D+00  0.380993D+00  0.106418D+01  0.721998D+00
      3   0.106883D+01  0.734391D+01  0.267806D+01 -0.109179D+01  0.577442D+01
                86            87            88            89            90 
      1   0.131894D+01 -0.493270D+01  0.100764D+01  0.212495D+01  0.501628D+00
      2   0.710981D+00  0.150684D+01 -0.128582D+01  0.646781D+00 -0.647347D+00
      3   0.372527D+01 -0.120621D+01 -0.119698D+01 -0.138402D+01 -0.530693D+00
                91            92            93            94            95 
      1   0.311366D+01  0.981172D+00 -0.175968D+01  0.559182D+01 -0.469529D+00
      2  -0.794884D+01 -0.168722D+01 -0.558851D+01 -0.219954D+01 -0.806966D+01
      3   0.137539D+02 -0.122480D+01  0.239471D+01  0.204566D+02 -0.187917D+02
                96            97            98            99           100 
      1  -0.236989D+01 -0.232299D+01  0.503954D+01  0.856606D+00  0.167253D+01
      2  -0.131577D+01 -0.330198D+02  0.948479D-01  0.247858D+01 -0.114606D+02
      3   0.748246D+01  0.779200D+00  0.106080D+02  0.744168D+01  0.729353D+00
               101           102           103           104           105 
      1  -0.624645D+01  0.372790D+00 -0.303163D+01  0.432845D+01 -0.114167D+02
      2   0.200941D+01  0.169487D+02 -0.348694D+00  0.186040D+02  0.584622D+01
      3  -0.140062D+02 -0.119506D+01 -0.929962D+01  0.856174D+01 -0.153300D+02
               106           107           108           109           110 
      1   0.292593D+01 -0.596712D+01 -0.498512D+01 -0.487511D+01  0.175949D+01
      2   0.163722D+02  0.271684D+01 -0.302226D+01  0.123986D+02  0.390196D+01
      3   0.530482D+01 -0.144179D+02 -0.705558D+01 -0.565975D+01  0.100858D+02
               111           112           113           114           115 
      1   0.106739D+02 -0.106356D+02 -0.687359D+01 -0.830268D+01  0.918930D+01
      2   0.177462D+01  0.697588D+01  0.316947D+01 -0.107028D+02  0.843696D+01
      3  -0.610462D+01  0.827148D+01  0.170174D+02 -0.118058D+01 -0.167350D+02
               116           117           118           119           120 
      1  -0.616020D+00  0.636740D+01  0.122485D+01 -0.104101D+01  0.107116D+01
      2  -0.171949D+01  0.171110D+01  0.271988D+01 -0.856929D+00  0.520146D+01
      3  -0.687421D+01 -0.480646D+01  0.915291D+01 -0.643177D+01 -0.280377D+00
               121           122           123           124           125 
      1  -0.129766D+01  0.230342D+01 -0.318985D+01  0.988119D+00 -0.265712D+00
      2  -0.154343D+01  0.440384D+01 -0.537025D+01  0.263484D+01 -0.333414D+01
      3  -0.819313D-01  0.207915D+02 -0.354388D+01 -0.129839D+01 -0.521578D+01
               126           127           128           129           130 
      1   0.495142D+00 -0.246450D+01  0.282456D+01 -0.484585D+00  0.109621D+01
      2   0.175657D+01 -0.291392D+01  0.284502D+01 -0.445852D+01  0.299112D+01
      3   0.217776D+01 -0.457019D+01  0.395796D+01 -0.125647D+01  0.350317D+01
               131           132           133           134           135 
      1  -0.108802D+02  0.340318D+01  0.491874D-01  0.524061D+01 -0.261544D+01
      2  -0.100019D+02  0.972023D+01 -0.188807D+01  0.431190D+01 -0.714912D+01
      3  -0.168401D+02  0.914672D+01  0.465172D+00  0.598073D+01 -0.475777D+01
               136           137           138           139           140 
      1  -0.146537D+01 -0.285613D+01  0.839583D+00 -0.208601D+01 -0.810039D+00
      2   0.110686D+02  0.119686D+00  0.833906D+01  0.193327D+00 -0.916237D+00
      3  -0.463044D+01 -0.656147D+01  0.490630D+00 -0.322137D+01 -0.738067D+00
               141           142           143           144           145 
      1   0.206550D+00 -0.202930D+00  0.137533D+01  0.497997D-02  0.174624D+01
      2   0.138961D-01  0.113241D+01  0.485883D+00  0.829844D+00 -0.475408D+01
      3   0.233236D+01 -0.804427D+00  0.275720D+01 -0.575070D+00  0.339465D+01
               146           147           148           149           150 
      1   0.326576D+01  0.182801D+00  0.183547D+01  0.589555D+01  0.217219D+01
      2  -0.462879D+01 -0.846010D+01 -0.306329D+01 -0.117128D+02 -0.137549D+02
      3   0.454781D+01  0.315154D+01  0.376774D+01  0.108954D+02  0.989227D+01
               151           152           153           154           155 
      1  -0.201659D+00  0.534837D+01  0.242492D+01  0.407007D+01  0.433184D+00
      2  -0.426666D+01 -0.935606D+01 -0.170760D+02 -0.110490D+02 -0.600580D+00
      3   0.785095D-01  0.779884D+01  0.861150D+01 -0.860532D+01 -0.216732D+02
               156           157           158           159           160 
      1  -0.635828D+01  0.743151D+01  0.424295D+01 -0.363755D+01 -0.298177D+01
      2   0.213428D+02 -0.146311D+01 -0.422924D+01  0.119214D+02  0.478704D+01
      3  -0.984032D+00 -0.175995D+02 -0.233732D+02  0.736483D-01  0.381896D+01
               161           162           163           164           165 
      1   0.163670D+01  0.143242D+01  0.640887D+01  0.260675D+01 -0.315295D+01
      2   0.299998D+01 -0.865733D+01 -0.131073D+02 -0.529545D+01  0.331589D+01
      3   0.456896D+01 -0.248512D+01 -0.881058D+01 -0.406155D+01  0.899586D+00
               166           167           168           169           170 
      1   0.786011D+01  0.437431D+01  0.221513D+01 -0.157886D+01  0.787466D+01
      2  -0.104070D+02  0.525084D+01  0.825940D+01 -0.341830D+01  0.327015D+01
      3   0.563222D-01 -0.459001D+01 -0.915093D+01  0.620174D+01 -0.194677D+01
               171           172           173           174           175 
      1  -0.293905D+01 -0.777994D+01 -0.359498D+01  0.474377D+00 -0.917250D+01
      2   0.242181D+02  0.228525D+02  0.390619D+01 -0.785164D+01  0.942843D+01
      3  -0.308469D+01  0.262932D+01  0.274247D+01  0.225580D+01  0.863656D+01
               176           177           178           179           180 
      1  -0.280570D+01 -0.182949D+01 -0.984032D-02 -0.127624D+00 -0.677680D+00
      2   0.376299D+01 -0.441266D+01 -0.275994D+01 -0.103335D+01  0.550359D+01
      3   0.936948D+00  0.352539D+00  0.188844D+01  0.767769D+00  0.744432D+00
               181           182           183           184           185 
      1  -0.571972D+00  0.236729D+01  0.603806D+01  0.247754D+01 -0.109910D+01
      2  -0.694760D+01 -0.181300D+01  0.703061D+01 -0.149269D+01 -0.785231D+01
      3  -0.304809D+02 -0.131401D+02  0.270005D+01 -0.116293D+02 -0.267721D+02
               186           187           188           189           190 
      1  -0.239162D+01  0.152929D+02  0.319652D+01 -0.237027D+01 -0.870119D+00
      2  -0.199766D+01 -0.251746D+01 -0.109006D+02  0.158698D+01 -0.352597D+01
      3   0.628386D+01  0.361311D+01  0.778289D+01 -0.194689D+01  0.108957D+02
               191           192           193           194           195 
      1   0.328085D+01 -0.459052D+00  0.344555D+01  0.226019D+01  0.366806D+01
      2   0.445949D+01  0.288072D+00  0.133826D+02  0.179395D+01 -0.320468D+01
      3   0.211158D+02 -0.443170D+01  0.520997D+02  0.190872D+02 -0.590835D+01
               196           197           198           199           200 
      1  -0.383554D+01  0.141200D+02 -0.321215D+01  0.557015D-01 -0.206256D+01
      2  -0.173202D+01 -0.510337D+01  0.963331D+00  0.222755D+01 -0.190595D+01
      3  -0.980470D+01 -0.440046D+01  0.547524D+01 -0.215034D+02 -0.116283D+02
               201           202           203           204           205 
      1   0.221518D+00 -0.204888D+01  0.122561D+01 -0.359420D+01 -0.395630D+01
      2   0.453388D+01 -0.815716D+01  0.447553D+01  0.497199D+01 -0.169654D+02
      3   0.236578D+01 -0.415889D+01  0.797733D+00 -0.183663D+01  0.547725D+01
               206           207           208           209           210 
      1   0.374524D+01  0.355685D+00  0.882819D+00 -0.319825D+01  0.572756D+00
      2   0.143447D+02 -0.414032D+01  0.248142D+01 -0.539944D+01  0.129043D+02
      3  -0.353844D+01 -0.598439D+01  0.679687D+01 -0.413328D+02  0.496791D+01
               211           212           213           214           215 
      1   0.143710D+00 -0.113867D+01 -0.655777D+01  0.263157D+01 -0.119476D+01
      2  -0.158232D+01  0.224000D+01  0.747949D+01 -0.531249D+01 -0.313755D+01
      3  -0.488693D+01  0.100647D+02 -0.239344D+01  0.131710D+01  0.187917D+01
               216           217           218           219           220 
      1   0.126322D+01 -0.124744D+01  0.517231D+00 -0.114937D+01  0.323770D+01
      2  -0.122371D+01 -0.621938D+01 -0.133439D+01  0.756191D+01 -0.256305D+01
      3   0.907747D+00 -0.340205D+02 -0.216854D+01  0.372367D+01  0.121904D+02
               221           222           223           224           225 
      1   0.406592D+01  0.666863D+01  0.126854D+02  0.715913D+01 -0.196569D+01
      2  -0.710871D+01 -0.349685D+02 -0.888005D+01 -0.220306D+02  0.167936D+02
      3   0.210088D+02  0.729674D+01  0.327885D+01  0.581536D+01  0.280218D+02
               226           227           228           229           230 
      1   0.231611D+00 -0.364140D+00 -0.214315D+01 -0.237463D-02 -0.828931D+00
      2   0.200609D+01  0.174973D+01 -0.531808D-01  0.141664D+01  0.363290D+01
      3   0.945014D+01  0.748412D+01 -0.197718D+01  0.708784D+01  0.181016D+02
               231           232           233           234           235 
      1  -0.447126D+01  0.122688D+01  0.218225D+01  0.412511D+00 -0.783358D+00
      2  -0.715692D+00 -0.507081D+00 -0.116074D+01  0.524406D-01 -0.901397D+00
      3  -0.363487D+01 -0.203200D+01 -0.385576D+01  0.389972D+00 -0.301739D+00
               236           237           238           239           240 
      1   0.870315D+00  0.237465D+01 -0.221607D+00 -0.879168D+00 -0.399866D+01
      2  -0.385769D-01  0.273352D+01 -0.100354D+01  0.116383D+01 -0.411742D+01
      3  -0.629640D+01  0.620232D+00 -0.546308D+01  0.163486D+02 -0.135275D+01
               241           242           243           244           245 
      1  -0.300095D+01  0.153358D+01  0.566784D+00  0.296912D+00 -0.743165D-01
      2  -0.256091D+01 -0.102498D+01  0.121522D+01 -0.599502D+00 -0.921568D+00
      3   0.182472D+01 -0.218847D+01  0.163907D+01 -0.235136D+00 -0.304579D+01
               246           247           248           249           250 
      1  -0.116135D+01  0.233069D+00 -0.298144D+00 -0.297045D+01 -0.475291D+00
      2   0.108852D+01 -0.817441D+00 -0.279218D+01  0.318697D+01 -0.144742D+01
      3   0.516744D+00  0.115566D+00 -0.136014D+02  0.229586D+01  0.342441D+00
               251           252           253           254           255 
      1   0.159348D+01  0.395169D+00 -0.583448D+00  0.677596D+00  0.169025D+01
      2  -0.912449D+00 -0.129345D+00 -0.508448D+01  0.100688D+01 -0.598865D+01
      3   0.295682D+01  0.211809D+00  0.101494D+01  0.314129D+01 -0.260637D+01
               256           257           258           259           260 
      1  -0.182127D+00 -0.236116D+00 -0.243142D+01 -0.290260D+01  0.151289D+01
      2  -0.433710D+01 -0.795465D+01  0.146069D+02  0.102004D+02  0.131334D+02
      3  -0.511683D+01 -0.126261D+02  0.990368D+01  0.521304D+01  0.115907D+02
               261           262           263           264           265 
      1   0.556347D+01  0.680078D+00 -0.596186D+00 -0.451166D+00 -0.542497D+00
      2  -0.359763D+02  0.104995D+01  0.138824D+00  0.938738D+01  0.380307D+00
      3  -0.177031D+02  0.148203D+02 -0.102086D+02 -0.952638D+00 -0.793115D+01
               266           267           268           269           270 
      1   0.121566D+00 -0.754255D+00 -0.116877D+01  0.736999D-01  0.166340D+00
      2   0.791174D+00 -0.131830D+01  0.666322D+01  0.102768D+01 -0.163853D+01
      3   0.545530D+01 -0.473792D+00 -0.867210D+00 -0.782515D+00 -0.119195D+01
               271           272           273           274           275 
      1   0.201007D+00  0.175860D+00  0.108990D+01 -0.196432D+01 -0.295844D+01
      2   0.594206D+01  0.581426D+00 -0.261431D+01  0.632328D+01  0.111771D+02
      3  -0.175834D+01  0.178643D+01  0.460162D+00 -0.112103D+02 -0.257919D+02
               276           277           278           279 
      1  -0.506873D+01 -0.383859D+01 -0.149705D+01 -0.557759D+01
      2   0.150237D+02  0.728273D+01  0.133028D+02  0.173874D+02
      3  -0.136516D+02 -0.759938D+01 -0.166585D+02 -0.161795D+02
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1  -0.802664D+02  0.403150D+02 -0.379834D+01 -0.733658D+02  0.292133D+01
      2   0.396864D+02 -0.264541D+02  0.317932D+01  0.378629D+02  0.671799D+01
      3   0.405801D+02 -0.138610D+02  0.619022D+00  0.355029D+02 -0.963932D+01
      4   0.210367D+02  0.101784D+02 -0.284993D+01  0.109140D+02 -0.202082D+02
      5  -0.631414D+01 -0.347542D+01  0.380919D-01 -0.535835D+01  0.674500D+01
      6   0.342056D+01  0.111390D+01  0.233727D+01  0.417411D+01 -0.552248D+01
                 6             7             8             9            10 
      1   0.248058D+01  0.186374D+02 -0.474120D+01 -0.990041D+01  0.120598D+03
      2  -0.408006D+01 -0.805381D+01  0.178515D+01 -0.967764D+00 -0.563838D+02
      3   0.159948D+01 -0.105836D+02  0.295604D+01  0.108682D+02 -0.642139D+02
      4   0.378966D+01 -0.321901D+01  0.300313D+01 -0.576373D+00  0.784146D+01
      5   0.376102D+01  0.126274D+01 -0.113877D+01  0.912082D-01 -0.772014D+00
      6   0.232324D+00  0.185449D+01  0.402070D+01  0.926355D+00 -0.785973D+01
                11            12            13            14            15 
      1  -0.409515D+01 -0.833585D+01  0.594530D+02 -0.315554D+02  0.137405D+01
      2  -0.458013D+00  0.368585D+01 -0.215123D+02  0.228252D+02 -0.405032D+01
      3   0.455316D+01  0.465000D+01 -0.379407D+02  0.873022D+01  0.267627D+01
      4   0.125080D+02 -0.506187D+01 -0.271950D+02  0.173103D+02 -0.916425D+00
      5  -0.706593D+01 -0.117931D+02  0.886567D+01 -0.248425D+01 -0.334982D+00
      6   0.364490D+01  0.966796D+00 -0.400990D+01 -0.700401D+00 -0.182201D+01
                16            17            18            19            20 
      1  -0.190141D+02  0.548503D+01 -0.490279D+01  0.428049D+02 -0.454935D+02
      2   0.853022D+01 -0.360160D+01 -0.249373D+01 -0.201262D+02  0.324182D+02
      3   0.104839D+02 -0.188344D+01  0.739651D+01 -0.226787D+02  0.130752D+02
      4   0.575982D+01 -0.233205D+01  0.523118D+01 -0.235539D+02 -0.119097D+02
      5   0.131949D+01  0.450946D+01  0.410120D+00  0.850773D+01  0.401794D+01
      6   0.535117D+01  0.411251D+01  0.147212D+01 -0.327317D+01 -0.191249D+00
                21            22            23            24            25 
      1   0.558834D+01  0.755973D+01  0.322801D+02 -0.480051D+01 -0.442963D+01
      2  -0.405441D+01 -0.212411D+02 -0.312098D+02  0.588896D+01  0.698428D+01
      3  -0.153393D+01  0.136813D+02 -0.107036D+01 -0.108845D+01 -0.255465D+01
      4   0.293042D+01  0.147746D+02 -0.303630D+01  0.313723D+01 -0.116032D+01
      5  -0.256912D+01 -0.562009D+01  0.333316D+01  0.677331D+01  0.508616D+01
      6   0.611802D+00  0.978955D+01  0.536898D+01  0.168758D+01  0.288396D+01
                26            27            28            29            30 
      1  -0.175638D+01 -0.690876D+01  0.135502D+02  0.142321D+00  0.321755D+01
      2   0.531303D+01 -0.669808D+01 -0.275578D+02 -0.294734D+01 -0.155261D+01
      3  -0.355665D+01  0.136068D+02  0.140076D+02  0.280502D+01 -0.166494D+01
      4   0.512486D+01  0.394975D+01 -0.688259D+00  0.130765D+02  0.591298D+00
      5   0.863313D+01 -0.231381D+01 -0.114663D+02  0.205881D+01  0.846101D+01
      6   0.422206D+01 -0.232858D+00  0.115692D+02 -0.135774D+01 -0.315963D+01
                31            32            33            34            35 
      1   0.156620D+02 -0.627937D+02  0.729307D+01 -0.358915D+01  0.102345D+02
      2  -0.504164D+01  0.582931D+02 -0.112664D+02 -0.615388D+00 -0.109282D+02
      3  -0.106203D+02  0.450057D+01  0.397332D+01  0.420454D+01  0.693751D+00
      4  -0.353967D+02 -0.121574D+02  0.421936D+01  0.139760D+02  0.376226D+01
      5   0.107537D+02  0.493934D+01 -0.107881D+01  0.326065D+02 -0.540009D+01
      6  -0.202148D+01 -0.534891D+01 -0.228112D+01 -0.688226D+01  0.610312D+01
                36            37            38            39            40 
      1  -0.425584D+00 -0.504769D+01  0.678544D+02 -0.131171D+02 -0.202947D+02
      2  -0.796122D+01 -0.433203D+00 -0.516866D+02  0.708153D+01  0.226791D+02
      3   0.838681D+01  0.548090D+01 -0.161678D+02  0.603554D+01 -0.238439D+01
      4  -0.534261D+00  0.198994D+02 -0.113141D+02 -0.685966D+00  0.159580D+02
      5   0.437861D+00 -0.385710D+01 -0.375681D+01  0.247291D+01  0.275364D+01
      6   0.527557D+01 -0.364323D+01  0.322759D+01 -0.114186D+02 -0.102755D+02
                41            42            43            44            45 
      1   0.241711D+02 -0.786982D+01  0.630913D+01 -0.136596D+02 -0.133736D+02
      2  -0.277242D+02  0.723057D+01 -0.973376D+01  0.151446D+02  0.337704D+01
      3   0.355315D+01  0.639249D+00  0.342463D+01 -0.148501D+01  0.999660D+01
      4   0.171986D+02 -0.736846D+01  0.536807D+00 -0.568008D+01 -0.679643D+01
      5  -0.847889D+01 -0.683325D+01  0.190112D+02 -0.793955D+01  0.361605D+01
      6   0.829657D+01  0.529277D+01 -0.182209D+02  0.171396D+02  0.425251D+00
                46            47            48            49            50 
      1   0.250602D+01 -0.541447D+02  0.789168D+01  0.263968D+02  0.608735D+01
      2  -0.228211D+01  0.421853D+02 -0.292843D+01 -0.234835D+02 -0.117669D+02
      3  -0.223908D+00  0.119594D+02 -0.496325D+01 -0.291335D+01  0.567954D+01
      4  -0.163442D+02 -0.886790D+01  0.421072D+01  0.104937D+02 -0.112019D+02
      5   0.524355D+01  0.607349D+01  0.404395D+00 -0.238774D+01  0.207389D+01
      6   0.395752D+01  0.966643D+00  0.102015D+02  0.312011D+01  0.105468D+02
                51            52            53            54            55 
      1  -0.730230D+01 -0.517570D+01 -0.231165D+01 -0.219176D+02 -0.200975D+02
      2   0.797604D+01  0.634912D+01  0.911662D+01  0.923768D+01  0.775337D+01
      3  -0.673743D+00 -0.117343D+01 -0.680498D+01  0.126799D+02  0.123441D+02
      4   0.330374D+01  0.154620D+01  0.628682D+01  0.572406D+01  0.446979D+01
      5   0.553842D+00  0.509198D+01  0.236527D+01  0.283796D+00 -0.270601D+01
      6   0.440372D+01  0.419442D+01  0.214645D+02 -0.504341D+01  0.337279D+01
                56            57            58            59            60 
      1  -0.396449D+02  0.634816D+01  0.945015D+01  0.180296D+02 -0.892836D+01
      2   0.335698D+02 -0.109023D+01 -0.107868D+02 -0.183780D+02  0.849177D+01
      3   0.607510D+01 -0.525793D+01  0.133664D+01  0.348377D+00  0.436586D+00
      4  -0.481666D+02  0.759045D+01  0.128447D+02 -0.574917D+01 -0.609759D+00
      5   0.109044D+02 -0.104477D+02 -0.244578D+01 -0.202680D+01 -0.991576D+00
      6  -0.205391D+01  0.117606D+02  0.324286D+01  0.976204D+01  0.317818D+01
                61            62            63            64            65 
      1  -0.178858D+01 -0.563550D+01 -0.265895D+02  0.352589D+01 -0.147397D+01
      2   0.477846D+01  0.114903D+02  0.896176D+01 -0.697707D+00  0.265597D+01
      3  -0.298988D+01 -0.585479D+01  0.176278D+02 -0.282818D+01 -0.118200D+01
      4  -0.279863D+01  0.319632D+01 -0.573816D+01  0.929384D+01  0.100419D+02
      5  -0.171979D+01 -0.100242D+02  0.641206D+01 -0.262900D+01 -0.208575D+01
      6   0.546665D+01  0.184581D+02 -0.624400D+01 -0.170017D+01 -0.148509D+01
                66            67            68            69            70 
      1   0.371434D+00 -0.359586D+01 -0.147097D+02  0.338204D+01  0.723444D-01
      2   0.147341D+00  0.571470D+01  0.174159D+02 -0.143561D+01  0.826194D-01
      3  -0.518776D+00 -0.211884D+01 -0.270614D+01 -0.194643D+01 -0.154964D+00
      4  -0.158365D+01  0.137058D+02  0.183182D+02 -0.320830D+01 -0.286894D+01
      5   0.314152D+01 -0.359791D+01 -0.337727D+01  0.400530D+01  0.169604D+01
      6   0.156967D+01 -0.292438D+01 -0.599318D+01  0.537023D+01  0.217878D+01
                71            72            73            74            75 
      1   0.207732D+01 -0.296877D+01 -0.767619D+00  0.745095D+01 -0.898930D+00
      2  -0.185504D+01  0.220083D+01  0.994371D+01 -0.164929D+02  0.141453D+01
      3  -0.222279D+00  0.767940D+00 -0.917609D+01  0.904196D+01 -0.515599D+00
      4  -0.340077D+01  0.234414D+01 -0.221601D+02  0.223337D+02 -0.233633D+01
      5   0.923295D+00 -0.140169D+01  0.182382D+01 -0.241405D+01  0.318071D+01
      6   0.313318D+01 -0.215637D+01 -0.104873D+01  0.149625D+01 -0.316363D+01
                76            77            78            79            80 
      1   0.116624D+02 -0.293829D+02  0.345201D+01 -0.233428D+01  0.435490D+01
      2  -0.224040D+02  0.470807D+02 -0.418209D+01  0.413730D+01 -0.629519D+01
      3   0.107417D+02 -0.176978D+02  0.730076D+00 -0.180302D+01  0.194029D+01
      4   0.243773D+02 -0.331275D+02  0.363603D+01 -0.324712D+01  0.404754D+01
      5  -0.325843D+01  0.409434D+01 -0.394486D+01  0.215378D+00 -0.181440D+01
      6   0.356860D+01 -0.509651D+01  0.719167D+01  0.130708D+01  0.287979D+01
                81            82            83            84            85 
      1  -0.146616D+01 -0.576396D+01 -0.109466D+02  0.252413D+01 -0.956875D+01
      2   0.248270D+01  0.987901D+01  0.174589D+02 -0.268402D+01  0.136620D+02
      3  -0.101654D+01 -0.411505D+01 -0.651235D+01  0.159891D+00 -0.409324D+01
      4  -0.243048D+01  0.117895D+02  0.192301D+02 -0.333873D+01  0.129057D+02
      5   0.106000D+01 -0.133423D+01 -0.191590D+01  0.301020D+01 -0.139275D+01
      6  -0.186981D+01 -0.251526D+01 -0.395828D+01  0.372369D+01 -0.284682D+01
                86            87            88            89            90 
      1  -0.406514D+02  0.775776D+01  0.202945D+01  0.828948D+01 -0.236834D+01
      2   0.571606D+02 -0.839239D+01 -0.299228D+01 -0.105239D+02  0.258847D+01
      3  -0.165092D+02  0.634633D+00  0.962826D+00  0.223446D+01 -0.220122D+00
      4   0.266793D+02 -0.435236D+01 -0.324507D+01 -0.497207D+01  0.312551D+01
      5  -0.189568D+01  0.230299D+01  0.108097D+01  0.272759D+01 -0.142089D+01
      6  -0.106293D+02  0.927848D+01  0.785234D+00  0.456059D+01 -0.280962D+01
                91            92            93            94            95 
      1  -0.875909D+01  0.196945D+01 -0.150642D+02 -0.343054D+01 -0.141319D+01
      2   0.136376D+02  0.264214D+01  0.164723D+01  0.101462D+02 -0.110671D+02
      3  -0.487852D+01 -0.461159D+01  0.134170D+02 -0.671566D+01  0.124802D+02
      4  -0.393524D+01 -0.131164D+02 -0.331167D+01 -0.144217D+02  0.366159D+02
      5  -0.167229D+01 -0.412253D+01 -0.191207D+02  0.286728D+01 -0.128031D+02
      6  -0.479645D+01  0.193226D+01  0.130129D+01 -0.382708D+01  0.354307D+01
                96            97            98            99           100 
      1  -0.143091D+01 -0.920296D+00 -0.411760D+01 -0.208006D+02 -0.730829D+02
      2   0.563372D+00 -0.122032D+02  0.891333D+01  0.187877D+02  0.409891D+02
      3   0.867533D+00  0.131235D+02 -0.479573D+01  0.201288D+01  0.320938D+02
      4  -0.144231D+02 -0.725094D+01 -0.156121D+02 -0.344220D+01  0.123501D+02
      5  -0.292619D+01 -0.599192D+02  0.184202D+01  0.128044D+02  0.396737D+02
      6   0.438528D+01  0.244512D+01 -0.600805D+00 -0.899295D+00 -0.384514D+01
               101           102           103           104           105 
      1   0.793314D+01  0.291400D+02  0.444259D+01  0.300153D+02  0.891467D+01
      2  -0.354569D+01 -0.789196D+01 -0.570232D+01 -0.513647D+01  0.751873D-01
      3  -0.438745D+01 -0.212481D+02  0.125973D+01 -0.248788D+02 -0.898986D+01
      4   0.180936D+02  0.131987D+01  0.168814D+02 -0.148720D+02  0.232799D+02
      5   0.876195D+00  0.106546D+02  0.654775D+00  0.154937D+02  0.631971D+01
      6  -0.113198D+02 -0.315298D+01 -0.631354D+01  0.400845D+01 -0.193157D+02
               106           107           108           109           110 
      1   0.414624D+01  0.828253D+01  0.200923D+02 -0.763846D+02 -0.249800D+02
      2   0.155564D+02 -0.338952D+01 -0.210090D+02  0.286571D+02  0.380913D+01
      3  -0.197027D+02 -0.489301D+01  0.916759D+00  0.477275D+02  0.211708D+02
      4   0.208676D+01  0.199002D+02  0.416210D+01 -0.432782D+02 -0.256789D+02
      5   0.376402D+02  0.135991D+01 -0.259910D+02  0.240455D+01 -0.334341D+01
      6  -0.325801D+01 -0.140959D+02 -0.755819D+01 -0.138277D+01  0.232711D+01
               111           112           113           114           115 
      1   0.122287D+01 -0.343500D+02 -0.145554D+02  0.955298D+01  0.384006D+02
      2  -0.251435D+01  0.759927D+01  0.536396D+01 -0.523108D+00 -0.181336D+02
      3   0.129149D+01  0.267507D+02  0.919142D+01 -0.902987D+01 -0.202670D+02
      4  -0.675235D+00 -0.102966D+02 -0.223016D+02  0.712558D+01  0.169238D+02
      5  -0.320743D+01 -0.260923D+01  0.496202D+01 -0.641040D+01  0.257420D+02
      6  -0.472785D+01  0.343453D+01 -0.375505D+01  0.510022D+00  0.494168D+01
               116           117           118           119           120 
      1   0.708638D+01  0.271403D+02  0.758065D+01 -0.905235D+01  0.481060D+01
      2  -0.300225D+01 -0.333490D+01  0.270494D+01 -0.977387D-01 -0.138703D+01
      3  -0.408412D+01 -0.238054D+02 -0.102856D+02  0.915009D+01 -0.342356D+01
      4   0.157212D+02  0.704707D+01 -0.202023D+02  0.208541D+02 -0.668140D+00
      5   0.471372D+01  0.116335D+01  0.546331D+01 -0.325855D+00  0.104139D+02
      6  -0.118958D+01 -0.964347D+00 -0.154447D+01  0.585034D+00 -0.942101D+00
               121           122           123           124           125 
      1  -0.172778D+02 -0.229102D+01 -0.239478D+00  0.693910D+01  0.204475D+01
      2   0.338441D+01  0.199528D+02 -0.308421D+01 -0.267339D+01 -0.498006D+01
      3   0.138934D+02 -0.176618D+02  0.332369D+01 -0.426572D+01  0.293531D+01
      4   0.232586D+02 -0.488971D+02  0.742732D+01 -0.291184D+01  0.115695D+02
      5  -0.151303D+01  0.680998D+01 -0.109704D+02  0.118355D+02 -0.767332D+01
      6   0.626726D+00 -0.274375D+01  0.473067D+01 -0.244363D+01  0.647059D+01
               126           127           128           129           130 
      1   0.230231D+01  0.662156D+00  0.601928D+01 -0.861186D+01  0.110553D+02
      2  -0.778725D+00 -0.604852D-01 -0.262934D+01 -0.289205D-01 -0.737009D+01
      3  -0.152359D+01 -0.601670D+00 -0.338994D+01  0.864078D+01 -0.368521D+01
      4  -0.827244D+01  0.298389D+01 -0.490771D+01  0.157165D+01  0.153088D+01
      5   0.358179D+01 -0.976640D+00 -0.601883D+00 -0.481733D+01 -0.103505D+02
      6  -0.271967D+01 -0.278544D+01  0.469777D+01 -0.185495D+01  0.166531D+00
               131           132           133           134           135 
      1  -0.157306D+02  0.907274D+01 -0.395893D+01  0.526122D+01 -0.110421D+02
      2   0.573957D+01  0.398125D+01  0.130974D+01  0.151964D+01 -0.182025D+01
      3   0.999104D+01 -0.130540D+02  0.264919D+01 -0.678086D+01  0.128624D+02
      4   0.286759D+02 -0.156910D+02 -0.758530D+00 -0.109510D+02  0.798197D+01
      5  -0.119594D+02  0.178355D+02  0.272860D+01  0.636328D+01 -0.940024D+01
      6  -0.194338D+02  0.135225D+02  0.395114D+00  0.108932D+02 -0.678223D+01
               136           137           138           139           140 
      1   0.110727D+03 -0.606385D+01 -0.198184D+02 -0.443719D+01  0.572633D+01
      2  -0.664979D+02  0.267987D+01  0.189844D+02  0.126193D+01 -0.367425D+01
      3  -0.442293D+02  0.338398D+01  0.833973D+00  0.317526D+01 -0.205208D+01
      4  -0.136357D+02  0.128637D+02  0.398169D+01  0.140461D+02 -0.127063D+01
      5  -0.638612D+02  0.437360D+01  0.314436D+02  0.240330D+01 -0.666918D+01
      6   0.553045D+01 -0.462544D+01 -0.236873D+01 -0.418787D+01  0.232794D+00
               141           142           143           144           145 
      1  -0.998496D-01 -0.807588D+01 -0.142717D+01  0.774872D+01 -0.106798D+01
      2  -0.172561D-01  0.826040D+01  0.125099D+00 -0.675069D+01 -0.495727D+00
      3   0.117106D+00 -0.184519D+00  0.130207D+01 -0.998031D+00  0.156371D+01
      4  -0.554953D+01 -0.152065D+00 -0.347661D+01 -0.905023D+00 -0.319297D+01
      5  -0.787012D+00  0.167110D+02 -0.235172D+00 -0.727015D+01 -0.211592D+01
      6   0.420444D+01 -0.636971D+00  0.272918D+01  0.109813D+01  0.385931D+01
               146           147           148           149           150 
      1  -0.100069D+02 -0.155722D+02 -0.935832D+01 -0.191697D+02 -0.175182D+02
      2   0.371462D+01  0.109392D+01  0.597084D+01  0.809468D+01 -0.322591D+00
      3   0.629228D+01  0.144783D+02  0.338748D+01  0.110750D+02  0.178408D+02
      4  -0.544233D+01 -0.338848D+01  0.286317D+01 -0.192536D+02 -0.183837D+02
      5  -0.109071D+01 -0.710768D+01  0.802015D+01 -0.145755D+02 -0.214843D+02
      6   0.717155D+01  0.651332D+01 -0.753227D-01  0.183364D+02  0.195401D+02
               151           152           153           154           155 
      1  -0.649505D+01 -0.125839D+02 -0.246298D+02  0.168636D+03  0.359919D+02
      2   0.288656D+01  0.160128D-01 -0.399442D+01 -0.748005D+02 -0.103022D+02
      3   0.360849D+01  0.125679D+02  0.286242D+02 -0.938355D+02 -0.256896D+02
      4   0.212015D+01 -0.140901D+02 -0.145618D+02  0.617588D+02  0.438277D+02
      5   0.511715D+01 -0.125969D+02 -0.236661D+02  0.117256D+02  0.625495D+01
      6   0.278860D+00  0.153693D+02  0.178161D+02  0.436628D+00  0.843404D+00
               156           157           158           159           160 
      1  -0.481399D+01  0.481542D+02  0.337365D+02 -0.467111D+01 -0.796653D+01
      2  -0.117534D+01 -0.103775D+02 -0.217960D+01 -0.109463D+00  0.990990D-01
      3   0.598933D+01 -0.377767D+02 -0.315569D+02  0.478058D+01  0.786743D+01
      4   0.265251D+01  0.616225D+02  0.515265D+02 -0.422095D+01 -0.594171D+01
      5   0.335005D+02  0.857212D+00  0.667457D+00  0.157549D+02  0.289314D+02
      6   0.604623D+01  0.370495D+01  0.339894D+01  0.687002D+01  0.652297D+01
               161           162           163           164           165 
      1  -0.348919D+01  0.160175D+02  0.480857D+02  0.146297D+02  0.118555D+02
      2  -0.984061D+00 -0.969386D+01 -0.310730D+02 -0.540105D+01 -0.886891D+01
      3   0.447325D+01 -0.632364D+01 -0.170128D+02 -0.922861D+01 -0.298663D+01
      4  -0.999710D+01  0.103669D+02  0.257592D+02  0.121851D+02  0.192398D+01
      5   0.956161D+01 -0.829475D+01  0.276881D+02  0.341678D+01  0.193286D+02
      6   0.528133D+01 -0.479830D+00  0.104270D+02  0.179917D+01  0.794277D+00
               166           167           168           169           170 
      1   0.205716D+02 -0.607685D+01 -0.985314D+01 -0.117522D+02 -0.799216D+01
      2  -0.105097D+02  0.316550D+01  0.206583D+01  0.102184D+01  0.266418D+01
      3  -0.100619D+02  0.291135D+01  0.778731D+01  0.107304D+02  0.532799D+01
      4   0.120757D+02  0.748453D+01  0.116508D+02 -0.617251D+01  0.185504D+01
      5   0.107149D+02  0.124569D+02  0.110743D+02  0.143357D+02  0.291772D+01
      6   0.270643D+01  0.699674D+01  0.123510D+02 -0.911632D+00  0.104729D+02
               171           172           173           174           175 
      1  -0.318912D+02 -0.465388D+02 -0.856123D+01  0.102853D+02 -0.208116D+02
      2  -0.156091D+02  0.258865D+02  0.369727D+01  0.369340D+01  0.135495D+02
      3   0.475003D+02  0.206524D+02  0.486396D+01 -0.139787D+02  0.726210D+01
      4   0.902888D+00 -0.206024D+02 -0.872991D+01 -0.168129D+01 -0.102066D+02
      5   0.469993D+02 -0.204428D+02 -0.469661D+01 -0.152974D+02 -0.113264D+02
      6   0.805151D+01 -0.784506D+01 -0.472907D+01 -0.262897D+01 -0.359572D+01
               176           177           178           179           180 
      1  -0.890607D+01  0.270605D+01 -0.257747D+01  0.946879D+00 -0.113581D+02
      2   0.464472D+01  0.311973D+01  0.786405D+01  0.362496D+00  0.290346D+01
      3   0.426135D+01 -0.582578D+01 -0.528659D+01 -0.130937D+01  0.845459D+01
      4  -0.422779D+01  0.198094D+01 -0.493983D+01 -0.214138D+00 -0.369664D+01
      5   0.855384D+00 -0.912935D+01 -0.753600D+01 -0.165592D+01  0.124458D+01
      6  -0.246000D+01  0.235318D+01 -0.242569D+01  0.169215D+01 -0.210987D+01
               181           182           183           184           185 
      1   0.370211D+02  0.519653D+02 -0.113680D+02 -0.346548D+02  0.171118D+02
      2  -0.243433D+02 -0.392756D+02  0.402965D+01  0.241935D+02 -0.203331D+02
      3  -0.126778D+02 -0.126897D+02  0.733830D+01  0.104613D+02  0.322126D+01
      4   0.109396D+02  0.299934D+02 -0.665762D+01  0.993691D+01  0.256405D+02
      5   0.746934D+00 -0.937584D+01  0.142364D+02  0.324554D+01 -0.106528D+02
      6  -0.186228D+01  0.662518D+01 -0.123723D+02 -0.668280D+01  0.862043D+01
               186           187           188           189           190 
      1  -0.235704D+01  0.634149D+01 -0.933533D+01 -0.878629D+00  0.952043D+02
      2   0.408588D+01 -0.124067D+02  0.139646D+02 -0.427888D+01 -0.529473D+02
      3  -0.172884D+01  0.606519D+01 -0.462930D+01  0.515751D+01 -0.422570D+02
      4  -0.108410D+02 -0.742622D+00 -0.135393D+02 -0.200908D+02 -0.122151D+02
      5  -0.665081D+01  0.285563D+02 -0.187514D+02  0.851928D+01  0.602929D+01
      6   0.431785D+01 -0.212841D+02  0.169809D+02 -0.332241D+00 -0.652392D-01
               191           192           193           194           195 
      1  -0.210308D+02 -0.614653D+00 -0.923139D+02 -0.315966D+02  0.153792D+02
      2   0.586614D+01 -0.945826D+00  0.500217D+02  0.382534D+02 -0.160927D+02
      3   0.151646D+02  0.156048D+01  0.422922D+02 -0.665679D+01  0.713435D+00
      4   0.984888D+01 -0.943893D+00 -0.334081D+02 -0.526889D+02  0.975144D+01
      5  -0.994224D+00  0.421039D+01  0.169127D+02  0.883536D+01 -0.661736D+01
      6   0.297866D+01 -0.257762D+01  0.164329D+01 -0.107931D+02 -0.393777D+01
               196           197           198           199           200 
      1   0.166980D+02  0.100102D+02  0.192299D+02 -0.118724D+03 -0.384270D+01
      2  -0.988653D+01 -0.875975D+01 -0.175083D+02  0.566179D+02  0.990912D+01
      3  -0.681151D+01 -0.125045D+01 -0.172159D+01  0.621063D+02 -0.606642D+01
      4   0.148223D+02  0.606107D+01 -0.783622D+01 -0.994214D+01 -0.216275D+02
      5   0.441749D+02 -0.131463D+02  0.160217D+01  0.402099D+01  0.951937D+01
      6  -0.426203D+01  0.746565D+01  0.332367D+01  0.714119D+01 -0.427089D+01
               201           202           203           204           205 
      1   0.808221D+01  0.113755D+03  0.386736D+01 -0.900974D+01 -0.126932D+02
      2  -0.519772D+01 -0.710052D+02 -0.142663D+02  0.835105D+01  0.988613D+01
      3  -0.288449D+01 -0.427499D+02  0.103989D+02  0.658692D+00  0.280702D+01
      4   0.786707D+01  0.135199D+02  0.186946D+02  0.189448D+01  0.948901D+00
      5   0.607098D+01 -0.334717D+01  0.261812D+01  0.116375D+02  0.655756D+01
      6   0.177255D+01  0.365363D+01  0.918584D+01  0.571502D+01  0.247896D+01
               206           207           208           209           210 
      1  -0.505430D+00 -0.114740D+02  0.391038D+02 -0.529583D+01  0.159126D+01
      2   0.338712D+01 -0.592187D+01 -0.212978D+02  0.285503D+01  0.154653D+01
      3  -0.288169D+01  0.173959D+02 -0.178060D+02  0.244080D+01 -0.313779D+01
      4   0.653350D+01  0.181578D+02 -0.162355D+02  0.133213D+02  0.276433D+01
      5   0.212867D+02 -0.847461D+01  0.381734D+00  0.217837D+01  0.233423D+02
      6   0.747687D+01  0.978141D+00  0.173982D+01 -0.104181D+01  0.143819D+01
               211           212           213           214           215 
      1  -0.138760D+01  0.728613D+01  0.139235D+01 -0.310464D+00 -0.701817D+00
      2  -0.153714D+01 -0.951878D+00  0.355341D+01  0.588122D+00  0.165972D+01
      3   0.292475D+01 -0.633425D+01 -0.494576D+01 -0.277659D+00 -0.957902D+00
      4   0.398910D+02 -0.197358D+02  0.326674D+01 -0.417170D+01  0.904251D+00
      5  -0.301158D+01  0.506583D+01  0.130809D+02  0.144897D+02 -0.674033D+01
      6  -0.863650D+00  0.290966D+01  0.994953D+01 -0.241186D+01  0.464148D+01
               216           217           218           219           220 
      1   0.487309D+01 -0.787767D+02  0.225133D+02  0.315088D+01  0.203139D+02
      2  -0.295760D+01  0.435327D+02 -0.114534D+02 -0.989924D+00 -0.851679D+01
      3  -0.191548D+01  0.352440D+02 -0.110598D+02 -0.216095D+01 -0.117971D+02
      4  -0.685879D+01  0.272447D+02  0.180196D+02 -0.677662D+01 -0.206257D+02
      5  -0.309372D+01  0.183828D+01 -0.662570D+01  0.974233D+01 -0.642451D+01
      6  -0.269893D+01 -0.351177D+01 -0.106048D+01  0.251042D+01 -0.383148D+01
               221           222           223           224           225 
      1   0.288516D+01 -0.843444D+01  0.637095D+00 -0.541113D+01  0.132360D+02
      2  -0.361755D+01 -0.550262D+01 -0.603265D+01 -0.359748D+01 -0.463344D+01
      3   0.732390D+00  0.139371D+02  0.539556D+01  0.900861D+01 -0.860252D+01
      4  -0.121724D+02 -0.196481D+02 -0.550903D+01 -0.166966D+02 -0.405636D+02
      5  -0.203254D+02 -0.667064D+02 -0.157561D+02 -0.391642D+02  0.275225D+02
      6  -0.484048D+01 -0.165960D+02 -0.106568D+02 -0.111633D+02  0.827261D+01
               226           227           228           229           230 
      1  -0.923499D+01 -0.188534D+02  0.438535D+01 -0.106316D+02 -0.475856D+02
      2   0.962072D+01  0.200791D+02 -0.316558D+01  0.114801D+02  0.563590D+02
      3  -0.385738D+00 -0.122573D+01 -0.121977D+01 -0.848485D+00 -0.877348D+01
      4   0.421953D+01  0.648634D+01 -0.102161D+01  0.341261D+01 -0.397092D+01
      5  -0.531399D+00 -0.551809D+00  0.115407D+01  0.209648D-01  0.210233D+01
      6  -0.270995D+01 -0.503497D+01  0.393029D+01 -0.290782D+01 -0.133721D+02
               231           232           233           234           235 
      1   0.960385D+01  0.272747D+01  0.990578D+01 -0.255199D+01  0.175478D+02
      2  -0.823651D+01 -0.288914D+01 -0.102708D+02  0.257554D+01  0.170027D+01
      3  -0.136734D+01  0.161670D+00  0.364996D+00 -0.235458D-01 -0.192481D+02
      4   0.954980D+00 -0.470330D+00  0.646659D+00  0.867240D+00 -0.382599D+02
      5  -0.173367D+01  0.225843D+01 -0.938156D-01 -0.191993D+00  0.623648D+01
      6   0.952743D+01  0.902411D-01  0.541688D+01 -0.294216D+01 -0.277776D+01
               236           237           238           239           240 
      1  -0.955190D+01  0.106187D+01 -0.806591D+01 -0.460171D+01  0.416283D+00
      2  -0.773761D+01 -0.154391D-01 -0.130334D+02  0.316134D+02 -0.186433D+01
      3   0.172895D+02 -0.104643D+01  0.210993D+02 -0.270117D+02  0.144804D+01
      4   0.383680D+02 -0.394561D+01  0.443467D+02 -0.612252D+02  0.698840D+01
      5  -0.548047D+01  0.596498D+01 -0.798357D+01  0.952335D+01 -0.793821D+01
      6   0.294789D+01 -0.394113D+01  0.595576D+01 -0.785874D+01  0.762910D+01
               241           242           243           244           245 
      1   0.802375D-01  0.998407D+00 -0.163735D+01  0.172078D+02  0.112486D+02
      2   0.297795D+01 -0.389334D+01  0.215240D+01 -0.678343D+01 -0.359053D+01
      3  -0.305819D+01  0.289493D+01 -0.515058D+00 -0.104244D+02 -0.765811D+01
      4  -0.557851D+01  0.766006D+01 -0.386673D+01  0.202836D+02  0.152008D+02
      5   0.336816D+00 -0.327716D+01  0.190679D+01 -0.449403D+01 -0.295858D+01
      6   0.375431D+00  0.349233D+01 -0.194738D+01 -0.106735D+01 -0.110580D+01
               246           247           248           249           250 
      1  -0.305038D+01  0.155228D+02 -0.108689D+01 -0.583348D+00 -0.403070D+01
      2   0.153418D+01 -0.212265D+01  0.119080D+02 -0.263840D+00  0.162817D+01
      3   0.151619D+01 -0.134001D+02 -0.108211D+02  0.847188D+00  0.240253D+01
      4  -0.361297D+01  0.263064D+02  0.368452D+02 -0.716817D+01 -0.595613D+01
      5   0.293393D+01 -0.505137D+01 -0.575366D+01  0.608082D+01  0.181762D+01
      6   0.118438D+01 -0.233443D+01 -0.399092D+01  0.490195D+01  0.214831D+01
               251           252           253           254           255 
      1  -0.878177D+00 -0.869458D+00 -0.279521D+01 -0.285525D+00 -0.103628D+02
      2  -0.121780D+01  0.158681D+01  0.985252D+00 -0.109837D+00  0.246352D+01
      3   0.209598D+01 -0.717350D+00  0.180995D+01  0.395363D+00  0.789925D+01
      4  -0.780731D+01  0.177356D+01 -0.424578D+01 -0.259437D+01 -0.515526D-01
      5   0.255617D+00 -0.114776D+01 -0.507412D+01  0.325218D+00 -0.803635D+01
      6   0.173157D+01 -0.175938D+01 -0.731476D+00  0.101506D+01 -0.299223D+01
               256           257           258           259           260 
      1   0.656341D+01  0.124615D+01  0.320074D+00 -0.311786D+02 -0.270957D+01
      2  -0.388478D+01  0.301849D+00  0.123561D+01  0.218501D+02  0.290523D+01
      3  -0.267864D+01 -0.154800D+01 -0.155568D+01  0.932850D+01 -0.195668D+00
      4   0.172178D+02  0.173541D+02 -0.159140D+02 -0.177243D+02 -0.169031D+02
      5  -0.117940D+02 -0.145735D+02  0.282668D+02  0.355496D+02  0.234301D+02
      6  -0.411108D+01 -0.653208D+01  0.113863D+02  0.937111D+01  0.101392D+02
               261           262           263           264           265 
      1  -0.203159D+01  0.204749D+03 -0.138649D+02 -0.823082D+01 -0.417001D+02
      2  -0.131755D+02 -0.107844D+03  0.826490D+01  0.528208D+01  0.229549D+02
      3   0.152071D+02 -0.969047D+02  0.559996D+01  0.294874D+01  0.187453D+02
      4   0.256020D+02 -0.449065D+01  0.157354D+02  0.990621D+00  0.195108D+02
      5  -0.665135D+02 -0.121319D+02  0.159276D+01  0.185627D+02  0.320209D+01
      6  -0.157978D+02  0.185925D+01 -0.895037D+00  0.690143D+00 -0.141081D+01
               266           267           268           269           270 
      1   0.176726D+02  0.187229D+01 -0.311985D+01  0.504875D+00  0.140440D+02
      2  -0.852604D+01 -0.943827D+00  0.258193D+01  0.203128D+00 -0.862939D+01
      3  -0.914658D+01 -0.928466D+00  0.537918D+00 -0.708002D+00 -0.541461D+01
      4  -0.949087D+01  0.543991D+00  0.915170D+00  0.156951D+01  0.204995D+01
      5   0.244868D+00 -0.285110D+01  0.216877D+02  0.129496D+01 -0.389896D+01
      6   0.999821D+00  0.143681D+01  0.311132D+00  0.206240D+01 -0.341849D+00
               271           272           273           274           275 
      1   0.490956D+01  0.404486D+01  0.849829D+01  0.222365D+02  0.847616D+01
      2  -0.152613D+01 -0.206866D+01 -0.447683D+01 -0.706193D+01  0.512809D+01
      3  -0.338344D+01 -0.197619D+01 -0.402146D+01 -0.151746D+02 -0.136043D+02
      4   0.177970D+01  0.107929D+01  0.205792D+01  0.344906D+02  0.419111D+02
      5   0.837113D+01  0.115096D+01 -0.415817D+01  0.162006D+02  0.247544D+02
      6   0.165169D+01 -0.242803D+00 -0.205167D+01  0.620873D+01  0.872562D+01
               276           277           278           279 
      1   0.355399D+01  0.332079D+02  0.719931D+01  0.149369D+01
      2   0.289711D+01 -0.149361D+02  0.154539D+00 -0.244638D+01
      3  -0.645110D+01 -0.182718D+02 -0.735385D+01  0.952690D+00
      4   0.251204D+02  0.251833D+02  0.278304D+02  0.268838D+02
      5   0.299419D+02  0.244247D+02  0.261348D+02  0.352000D+02
      6   0.969955D+01  0.868084D+01  0.952987D+01  0.991110D+01
 End of Minotr F.D. properties file   788 does not exist.
 Leave Link 1002 at Mon Aug 16 23:54:37 2021, MaxMem=  5637144576 cpu:           63883.7 elap:            8007.6
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l601.exe)
 Copying SCF densities to generalized density rwf, IOpCl= 0 IROHF=0.

 **********************************************************************

            Population analysis using the SCF density.

 **********************************************************************

 Orbital symmetries:
       Occupied  (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A)
       Virtual   (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A)
 The electronic state is 1-A.
 Alpha  occ. eigenvalues --  -18.94047 -18.93373 -18.87616 -10.13453 -10.08623
 Alpha  occ. eigenvalues --  -10.07014 -10.04235 -10.03962 -10.03864 -10.03445
 Alpha  occ. eigenvalues --  -10.02965 -10.02943 -10.02919 -10.02766 -10.02576
 Alpha  occ. eigenvalues --  -10.02180 -10.00535  -1.14979  -1.13494  -1.07005
 Alpha  occ. eigenvalues --   -0.95606  -0.91354  -0.87144  -0.85070  -0.82480
 Alpha  occ. eigenvalues --   -0.80160  -0.77771  -0.73055  -0.70993  -0.69128
 Alpha  occ. eigenvalues --   -0.68401  -0.66944  -0.62260  -0.61051  -0.60184
 Alpha  occ. eigenvalues --   -0.58212  -0.55764  -0.55395  -0.53546  -0.53383
 Alpha  occ. eigenvalues --   -0.52973  -0.51937  -0.50618  -0.50133  -0.49509
 Alpha  occ. eigenvalues --   -0.49186  -0.48762  -0.46984  -0.45568  -0.45115
 Alpha  occ. eigenvalues --   -0.44030  -0.43029  -0.42457  -0.41789  -0.40576
 Alpha  occ. eigenvalues --   -0.39795  -0.39368  -0.37923  -0.34323  -0.32314
 Alpha  occ. eigenvalues --   -0.29605
 Alpha virt. eigenvalues --   -0.00452   0.02028   0.02396   0.02816   0.03199
 Alpha virt. eigenvalues --    0.04010   0.04198   0.04643   0.05241   0.05451
 Alpha virt. eigenvalues --    0.05679   0.05898   0.06623   0.06711   0.07523
 Alpha virt. eigenvalues --    0.08030   0.08512   0.08829   0.09632   0.10168
 Alpha virt. eigenvalues --    0.10572   0.10823   0.11094   0.12128   0.12169
 Alpha virt. eigenvalues --    0.12382   0.12626   0.12718   0.13283   0.13369
 Alpha virt. eigenvalues --    0.13561   0.14070   0.14144   0.14666   0.14875
 Alpha virt. eigenvalues --    0.15195   0.15277   0.15561   0.16172   0.16222
 Alpha virt. eigenvalues --    0.16680   0.16742   0.17414   0.17687   0.17819
 Alpha virt. eigenvalues --    0.17912   0.18706   0.19072   0.19213   0.19292
 Alpha virt. eigenvalues --    0.20014   0.20191   0.20661   0.21513   0.21989
 Alpha virt. eigenvalues --    0.22505   0.22885   0.23074   0.23942   0.24128
 Alpha virt. eigenvalues --    0.24412   0.24608   0.25208   0.25490   0.25821
 Alpha virt. eigenvalues --    0.25955   0.26330   0.26836   0.27018   0.27317
 Alpha virt. eigenvalues --    0.27674   0.28089   0.28414   0.28780   0.29031
 Alpha virt. eigenvalues --    0.29591   0.29674   0.30139   0.30192   0.30602
 Alpha virt. eigenvalues --    0.30714   0.30941   0.31635   0.31774   0.31990
 Alpha virt. eigenvalues --    0.32799   0.32915   0.33470   0.33956   0.34040
 Alpha virt. eigenvalues --    0.34199   0.34565   0.34893   0.35213   0.35478
 Alpha virt. eigenvalues --    0.35676   0.36146   0.36662   0.36981   0.37047
 Alpha virt. eigenvalues --    0.37819   0.37911   0.38540   0.39100   0.39204
 Alpha virt. eigenvalues --    0.39843   0.39980   0.40260   0.40841   0.40879
 Alpha virt. eigenvalues --    0.41664   0.42506   0.42774   0.43027   0.43235
 Alpha virt. eigenvalues --    0.44001   0.44563   0.44759   0.45109   0.45760
 Alpha virt. eigenvalues --    0.46177   0.46381   0.46991   0.47782   0.47940
 Alpha virt. eigenvalues --    0.48294   0.48669   0.49119   0.49470   0.50023
 Alpha virt. eigenvalues --    0.50733   0.51961   0.52416   0.52834   0.53052
 Alpha virt. eigenvalues --    0.53532   0.54668   0.55035   0.55411   0.55935
 Alpha virt. eigenvalues --    0.56185   0.56313   0.56849   0.56940   0.57773
 Alpha virt. eigenvalues --    0.58165   0.58379   0.59052   0.59343   0.59641
 Alpha virt. eigenvalues --    0.60005   0.60644   0.61703   0.61774   0.62031
 Alpha virt. eigenvalues --    0.63003   0.63202   0.63310   0.64029   0.64376
 Alpha virt. eigenvalues --    0.64804   0.64940   0.65807   0.65928   0.66027
 Alpha virt. eigenvalues --    0.66542   0.66711   0.67187   0.67735   0.68497
 Alpha virt. eigenvalues --    0.68983   0.69139   0.69512   0.70104   0.70335
 Alpha virt. eigenvalues --    0.70791   0.71336   0.71470   0.71744   0.72238
 Alpha virt. eigenvalues --    0.73158   0.73440   0.74008   0.74307   0.74545
 Alpha virt. eigenvalues --    0.74734   0.75773   0.75847   0.76441   0.76766
 Alpha virt. eigenvalues --    0.77772   0.78311   0.78900   0.79187   0.79494
 Alpha virt. eigenvalues --    0.80010   0.80501   0.80852   0.81145   0.81337
 Alpha virt. eigenvalues --    0.81531   0.81998   0.82648   0.83067   0.83789
 Alpha virt. eigenvalues --    0.84149   0.85008   0.85717   0.86082   0.86559
 Alpha virt. eigenvalues --    0.87046   0.87443   0.88425   0.88652   0.90004
 Alpha virt. eigenvalues --    0.90161   0.90766   0.91287   0.91621   0.92580
 Alpha virt. eigenvalues --    0.93747   0.94265   0.95431   0.96309   0.96710
 Alpha virt. eigenvalues --    0.97240   0.98067   0.98558   1.00382   1.01192
 Alpha virt. eigenvalues --    1.01762   1.03857   1.04307   1.05234   1.05613
 Alpha virt. eigenvalues --    1.06340   1.06969   1.07960   1.09242   1.09673
 Alpha virt. eigenvalues --    1.10709   1.10817   1.13066   1.13649   1.14240
 Alpha virt. eigenvalues --    1.14788   1.17081   1.18102   1.18602   1.19362
 Alpha virt. eigenvalues --    1.19596   1.21001   1.21965   1.22536   1.23478
 Alpha virt. eigenvalues --    1.24749   1.25258   1.26214   1.26649   1.28507
 Alpha virt. eigenvalues --    1.29205   1.30375   1.31241   1.31488   1.33148
 Alpha virt. eigenvalues --    1.33989   1.35528   1.36670   1.36706   1.37487
 Alpha virt. eigenvalues --    1.38356   1.40023   1.40427   1.41595   1.42237
 Alpha virt. eigenvalues --    1.42334   1.43366   1.44013   1.45464   1.46319
 Alpha virt. eigenvalues --    1.46856   1.47484   1.48637   1.49003   1.49600
 Alpha virt. eigenvalues --    1.51052   1.52028   1.52383   1.52808   1.53897
 Alpha virt. eigenvalues --    1.54332   1.54774   1.56245   1.56741   1.57565
 Alpha virt. eigenvalues --    1.58354   1.59364   1.59588   1.59996   1.61345
 Alpha virt. eigenvalues --    1.61814   1.62231   1.63200   1.63949   1.65543
 Alpha virt. eigenvalues --    1.66250   1.66700   1.66882   1.67754   1.68080
 Alpha virt. eigenvalues --    1.68928   1.69712   1.70851   1.71058   1.71738
 Alpha virt. eigenvalues --    1.72424   1.73165   1.73592   1.74900   1.76337
 Alpha virt. eigenvalues --    1.76965   1.77165   1.78142   1.78662   1.79679
 Alpha virt. eigenvalues --    1.80798   1.81849   1.82060   1.83159   1.83767
 Alpha virt. eigenvalues --    1.84962   1.86299   1.86976   1.87966   1.89707
 Alpha virt. eigenvalues --    1.90343   1.91750   1.92238   1.92708   1.93734
 Alpha virt. eigenvalues --    1.94310   1.94673   1.95630   1.96819   1.98353
 Alpha virt. eigenvalues --    1.98480   1.99152   1.99932   2.00427   2.01357
 Alpha virt. eigenvalues --    2.02170   2.03092   2.03715   2.04492   2.05499
 Alpha virt. eigenvalues --    2.05938   2.06279   2.06951   2.08712   2.09020
 Alpha virt. eigenvalues --    2.09616   2.10618   2.11688   2.12473   2.13842
 Alpha virt. eigenvalues --    2.15415   2.15845   2.16312   2.16658   2.17358
 Alpha virt. eigenvalues --    2.18606   2.19968   2.20979   2.22214   2.22570
 Alpha virt. eigenvalues --    2.23189   2.24092   2.26767   2.28236   2.28896
 Alpha virt. eigenvalues --    2.30450   2.32516   2.33757   2.33942   2.34472
 Alpha virt. eigenvalues --    2.37037   2.37912   2.38344   2.39606   2.41051
 Alpha virt. eigenvalues --    2.41457   2.42396   2.44470   2.45819   2.47701
 Alpha virt. eigenvalues --    2.48938   2.53983   2.55314   2.55823   2.56929
 Alpha virt. eigenvalues --    2.58151   2.60899   2.63119   2.65417   2.65710
 Alpha virt. eigenvalues --    2.66660   2.68017   2.68620   2.70662   2.73169
 Alpha virt. eigenvalues --    2.75332   2.76547   2.79622   2.79694   2.85026
 Alpha virt. eigenvalues --    2.85452   2.88561   2.89830   2.93806   2.94061
 Alpha virt. eigenvalues --    2.96051   2.98879   2.99802   3.09204   3.09668
 Alpha virt. eigenvalues --    3.15182   3.21096   3.25639   3.33994   3.37661
 Alpha virt. eigenvalues --    3.39189   3.42048   3.43130   3.43488   3.44769
 Alpha virt. eigenvalues --    3.46372   3.50410   3.50879   3.52710   3.54759
 Alpha virt. eigenvalues --    3.55860   3.57238   3.62671   3.69948   3.76169
 Alpha virt. eigenvalues --    3.78323   3.81729   3.83989   3.94149   4.04457
 Alpha virt. eigenvalues --    4.44588   4.72295
          Condensed to atoms (all electrons):
               1          2          3          4          5          6
     1  C   27.723032  -2.392541  -8.991885   1.397438  -2.573170   1.782131
     2  C   -2.392541  24.395744   2.042540  -0.952488   0.808455  -7.358792
     3  C   -8.991885   2.042540  29.801826  -7.637188  -2.880333   0.656895
     4  C    1.397438  -0.952488  -7.637188  20.650217  -4.420659  -1.036990
     5  C   -2.573170   0.808455  -2.880333  -4.420659  26.294970 -11.074376
     6  C    1.782131  -7.358792   0.656895  -1.036990 -11.074376  28.103735
     7  C  -12.695148   1.788149  -4.536371   1.355204  -2.490940   1.706779
     8  H    0.619769  -0.895427  -3.778327   1.146814   0.355704  -0.046277
     9  H   -0.024672  -0.428628   0.457390  -0.056947  -3.360699   1.843657
    10  H   -0.840173   0.198164  -0.129125  -0.074746   2.457845  -3.697355
    11  C    0.426157  -0.979772  -1.353088  -2.436886  -2.012604   1.499538
    12  C   -0.055295  -0.018817  -0.191806  -0.362393  -0.046104  -0.095699
    13  C   -0.093302  -0.033095  -0.402993   0.292176  -0.323127  -0.059313
    14  H   -0.118969  -0.052990   0.177644  -0.176941   0.029279   0.049677
    15  H    0.049649  -0.074552  -0.106428  -0.334745   0.038835   0.030497
    16  H   -0.058363   0.033327   0.015594   0.762877  -0.121080  -0.024065
    17  H   -0.019131  -0.011735   0.179025  -0.597014   0.076799   0.037457
    18  O   -0.022997   0.023973   0.124628  -0.004806   0.000202  -0.018629
    19  O   -0.047814  -0.020389   0.137530  -0.198069  -0.006350   0.034991
    20  H    0.026244  -0.057768  -0.071666   0.110304  -0.008423   0.027457
    21  C    4.443926  -6.299633   0.242764  -0.377923   1.110060  -0.877900
    22  C   -5.878689   0.773893  -0.148289   0.259781   0.376504   0.110410
    23  C    2.458999  -5.511309   0.896239  -1.443722   3.246041  -6.584886
    24  O    0.197249   0.063894  -0.015918   0.029566  -0.031338  -0.081094
    25  C   -0.298733   0.043224  -0.009809  -0.005769   0.033041   0.026747
    26  H    1.750558  -0.258424   0.217206  -0.091493   0.044336  -0.118226
    27  H   -0.638224   0.254664  -0.072229   0.031187  -0.000042   0.043023
    28  H   -0.572242   0.173694   0.022613  -0.080459   0.265882   0.125994
    29  H   -0.023908   0.079090  -0.001142   0.004021  -0.013275  -0.005928
    30  H    0.014156  -0.112437  -0.000649  -0.002011   0.008111   0.014785
    31  H   -0.021929   0.081735   0.000587   0.003511  -0.015347  -0.006040
               7          8          9         10         11         12
     1  C  -12.695148   0.619769  -0.024672  -0.840173   0.426157  -0.055295
     2  C    1.788149  -0.895427  -0.428628   0.198164  -0.979772  -0.018817
     3  C   -4.536371  -3.778327   0.457390  -0.129125  -1.353088  -0.191806
     4  C    1.355204   1.146814  -0.056947  -0.074746  -2.436886  -0.362393
     5  C   -2.490940   0.355704  -3.360699   2.457845  -2.012604  -0.046104
     6  C    1.706779  -0.046277   1.843657  -3.697355   1.499538  -0.095699
     7  C   36.757539   0.522576   0.108674  -0.197005   0.281957   0.001836
     8  H    0.522576   4.271182  -0.034528  -0.001221  -0.014520   0.053314
     9  H    0.108674  -0.034528   3.674392  -0.348426   0.571389   0.023598
    10  H   -0.197005  -0.001221  -0.348426   3.521507   0.001495   0.006456
    11  C    0.281957  -0.014520   0.571389   0.001495  13.065617   0.182802
    12  C    0.001836   0.053314   0.023598   0.006456   0.182802   4.914896
    13  C    0.051550   0.058384   0.010460   0.000498  -1.712150  -0.090047
    14  H    0.040670  -0.005732  -0.173566   0.005563  -1.143155   0.198182
    15  H    0.033454  -0.096396   0.003607  -0.000115  -0.155163   0.563449
    16  H   -0.001146   0.023928   0.004304   0.000039  -0.320300  -0.077547
    17  H   -0.019930   0.008990  -0.002374   0.002706   0.463214   0.102415
    18  O   -0.009624  -0.013639   0.000745  -0.000185  -0.213911   0.068074
    19  O    0.005296   0.014809   0.000651   0.001004   0.364282  -0.016581
    20  H    0.018570  -0.007152  -0.012148   0.000214  -0.164949   0.010287
    21  C  -16.847949   0.324635   0.036097   0.011957  -0.135796   0.015297
    22  C    6.848024  -0.005461  -0.045899   0.241087   0.100963  -0.009515
    23  C   -5.945328  -0.092505  -0.258173   1.024439  -0.397017  -0.035405
    24  O   -0.254642   0.000226  -0.000121   0.001520  -0.000918   0.000043
    25  C    0.444518  -0.000912  -0.001066   0.015303   0.000616  -0.000126
    26  H   -4.399932  -0.300205   0.005397  -0.004953  -0.005866   0.005306
    27  H    1.963718  -0.000635  -0.001748   0.007371  -0.001308   0.000049
    28  H   -0.147352   0.011765   0.012047  -0.247540  -0.007728   0.000410
    29  H    0.035255  -0.000620  -0.000581   0.003762   0.000556  -0.000028
    30  H    0.000731   0.000121   0.000183  -0.001793  -0.000105   0.000015
    31  H    0.033934  -0.000381  -0.000668   0.003913   0.000536  -0.000076
              13         14         15         16         17         18
     1  C   -0.093302  -0.118969   0.049649  -0.058363  -0.019131  -0.022997
     2  C   -0.033095  -0.052990  -0.074552   0.033327  -0.011735   0.023973
     3  C   -0.402993   0.177644  -0.106428   0.015594   0.179025   0.124628
     4  C    0.292176  -0.176941  -0.334745   0.762877  -0.597014  -0.004806
     5  C   -0.323127   0.029279   0.038835  -0.121080   0.076799   0.000202
     6  C   -0.059313   0.049677   0.030497  -0.024065   0.037457  -0.018629
     7  C    0.051550   0.040670   0.033454  -0.001146  -0.019930  -0.009624
     8  H    0.058384  -0.005732  -0.096396   0.023928   0.008990  -0.013639
     9  H    0.010460  -0.173566   0.003607   0.004304  -0.002374   0.000745
    10  H    0.000498   0.005563  -0.000115   0.000039   0.002706  -0.000185
    11  C   -1.712150  -1.143155  -0.155163  -0.320300   0.463214  -0.213911
    12  C   -0.090047   0.198182   0.563449  -0.077547   0.102415   0.068074
    13  C    7.772347   0.134438  -0.014957   0.003555  -0.082203   0.130994
    14  H    0.134438   2.484137   0.115729  -0.023086  -0.058400   0.049556
    15  H   -0.014957   0.115729   1.729398  -0.395646  -0.289167   0.038497
    16  H    0.003555  -0.023086  -0.395646   1.854537  -0.404001  -0.004227
    17  H   -0.082203  -0.058400  -0.289167  -0.404001   1.799660   0.016625
    18  O    0.130994   0.049556   0.038497  -0.004227   0.016625   8.418487
    19  O   -0.405682   0.003585   0.007080  -0.003340   0.005956  -0.091851
    20  H    0.046555   0.032569   0.003535   0.000799  -0.002937   0.010718
    21  C    0.005076  -0.011422   0.005600   0.001502  -0.002393  -0.000586
    22  C    0.003483   0.007126   0.000161  -0.000411  -0.000322  -0.000641
    23  C   -0.033426  -0.019203  -0.013400   0.000908   0.004582   0.002811
    24  O    0.000005  -0.000122   0.000092  -0.000010   0.000008   0.000000
    25  C    0.000003   0.000125  -0.000056  -0.000010   0.000032   0.000000
    26  H   -0.000596  -0.003603   0.008449  -0.001136  -0.000600   0.000110
    27  H   -0.000057   0.000088  -0.000458   0.000064   0.000150   0.000031
    28  H   -0.000964  -0.001751  -0.000537   0.000137   0.000119   0.000068
    29  H    0.000012   0.000106   0.000022  -0.000003  -0.000009  -0.000002
    30  H   -0.000006  -0.000029  -0.000010   0.000001   0.000007   0.000000
    31  H    0.000046   0.000126  -0.000001  -0.000002  -0.000030  -0.000002
              19         20         21         22         23         24
     1  C   -0.047814   0.026244   4.443926  -5.878689   2.458999   0.197249
     2  C   -0.020389  -0.057768  -6.299633   0.773893  -5.511309   0.063894
     3  C    0.137530  -0.071666   0.242764  -0.148289   0.896239  -0.015918
     4  C   -0.198069   0.110304  -0.377923   0.259781  -1.443722   0.029566
     5  C   -0.006350  -0.008423   1.110060   0.376504   3.246041  -0.031338
     6  C    0.034991   0.027457  -0.877900   0.110410  -6.584886  -0.081094
     7  C    0.005296   0.018570 -16.847949   6.848024  -5.945328  -0.254642
     8  H    0.014809  -0.007152   0.324635  -0.005461  -0.092505   0.000226
     9  H    0.000651  -0.012148   0.036097  -0.045899  -0.258173  -0.000121
    10  H    0.001004   0.000214   0.011957   0.241087   1.024439   0.001520
    11  C    0.364282  -0.164949  -0.135796   0.100963  -0.397017  -0.000918
    12  C   -0.016581   0.010287   0.015297  -0.009515  -0.035405   0.000043
    13  C   -0.405682   0.046555   0.005076   0.003483  -0.033426   0.000005
    14  H    0.003585   0.032569  -0.011422   0.007126  -0.019203  -0.000122
    15  H    0.007080   0.003535   0.005600   0.000161  -0.013400   0.000092
    16  H   -0.003340   0.000799   0.001502  -0.000411   0.000908  -0.000010
    17  H    0.005956  -0.002937  -0.002393  -0.000322   0.004582   0.000008
    18  O   -0.091851   0.010718  -0.000586  -0.000641   0.002811   0.000000
    19  O    8.434044   0.191100   0.004654  -0.003285  -0.003825   0.000002
    20  H    0.191100   0.682178   0.000406   0.001442  -0.010611   0.000024
    21  C    0.004654   0.000406  29.899542  -8.085131   3.565978  -0.041514
    22  C   -0.003285   0.001442  -8.085131  18.262678  -6.953128  -0.904532
    23  C   -0.003825  -0.010611   3.565978  -6.953128  22.620138   0.714926
    24  O    0.000002   0.000024  -0.041514  -0.904532   0.714926   9.190917
    25  C   -0.000025  -0.000029  -0.415834   0.125641  -0.144644   0.173104
    26  H   -0.002124  -0.000868   2.542918  -1.005352   0.355093  -0.004462
    27  H    0.000097   0.000179  -3.384350   1.373781  -0.309024  -0.144008
    28  H    0.000068  -0.000132   0.527064   1.201348  -3.093846  -0.197492
    29  H   -0.000011   0.000010  -0.040446  -0.093666   0.024165   0.098192
    30  H    0.000001  -0.000009   0.023539   0.271740  -0.045031  -0.396346
    31  H   -0.000008   0.000020  -0.045083  -0.084109   0.022829   0.097923
              25         26         27         28         29         30
     1  C   -0.298733   1.750558  -0.638224  -0.572242  -0.023908   0.014156
     2  C    0.043224  -0.258424   0.254664   0.173694   0.079090  -0.112437
     3  C   -0.009809   0.217206  -0.072229   0.022613  -0.001142  -0.000649
     4  C   -0.005769  -0.091493   0.031187  -0.080459   0.004021  -0.002011
     5  C    0.033041   0.044336  -0.000042   0.265882  -0.013275   0.008111
     6  C    0.026747  -0.118226   0.043023   0.125994  -0.005928   0.014785
     7  C    0.444518  -4.399932   1.963718  -0.147352   0.035255   0.000731
     8  H   -0.000912  -0.300205  -0.000635   0.011765  -0.000620   0.000121
     9  H   -0.001066   0.005397  -0.001748   0.012047  -0.000581   0.000183
    10  H    0.015303  -0.004953   0.007371  -0.247540   0.003762  -0.001793
    11  C    0.000616  -0.005866  -0.001308  -0.007728   0.000556  -0.000105
    12  C   -0.000126   0.005306   0.000049   0.000410  -0.000028   0.000015
    13  C    0.000003  -0.000596  -0.000057  -0.000964   0.000012  -0.000006
    14  H    0.000125  -0.003603   0.000088  -0.001751   0.000106  -0.000029
    15  H   -0.000056   0.008449  -0.000458  -0.000537   0.000022  -0.000010
    16  H   -0.000010  -0.001136   0.000064   0.000137  -0.000003   0.000001
    17  H    0.000032  -0.000600   0.000150   0.000119  -0.000009   0.000007
    18  O    0.000000   0.000110   0.000031   0.000068  -0.000002   0.000000
    19  O   -0.000025  -0.002124   0.000097   0.000068  -0.000011   0.000001
    20  H   -0.000029  -0.000868   0.000179  -0.000132   0.000010  -0.000009
    21  C   -0.415834   2.542918  -3.384350   0.527064  -0.040446   0.023539
    22  C    0.125641  -1.005352   1.373781   1.201348  -0.093666   0.271740
    23  C   -0.144644   0.355093  -0.309024  -3.093846   0.024165  -0.045031
    24  O    0.173104  -0.004462  -0.144008  -0.197492   0.098192  -0.396346
    25  C    4.260247  -0.008741   0.054801  -0.047955   0.313671   0.219742
    26  H   -0.008741   3.469620  -0.245900   0.011690  -0.001086   0.000286
    27  H    0.054801  -0.245900   2.986896  -0.053595   0.011304  -0.010653
    28  H   -0.047955   0.011690  -0.053595   4.419979  -0.080399   0.053914
    29  H    0.313671  -0.001086   0.011304  -0.080399   1.410888  -0.511745
    30  H    0.219742   0.000286  -0.010653   0.053914  -0.511745   2.470544
    31  H    0.307122  -0.001365   0.011754  -0.083805  -0.119390  -0.513654
              31
     1  C   -0.021929
     2  C    0.081735
     3  C    0.000587
     4  C    0.003511
     5  C   -0.015347
     6  C   -0.006040
     7  C    0.033934
     8  H   -0.000381
     9  H   -0.000668
    10  H    0.003913
    11  C    0.000536
    12  C   -0.000076
    13  C    0.000046
    14  H    0.000126
    15  H   -0.000001
    16  H   -0.000002
    17  H   -0.000030
    18  O   -0.000002
    19  O   -0.000008
    20  H    0.000020
    21  C   -0.045083
    22  C   -0.084109
    23  C    0.022829
    24  O    0.097923
    25  C    0.307122
    26  H   -0.001365
    27  H    0.011754
    28  H   -0.083805
    29  H   -0.119390
    30  H   -0.513654
    31  H    1.416243
 Mulliken charges:
               1
     1  C    0.477879
     2  C    0.698251
     3  C    1.354764
     4  C    0.248154
     5  C    0.231803
     6  C    0.991797
     7  C    1.546934
     8  H   -1.118278
     9  H   -1.002347
    10  H   -0.962207
    11  C    0.096109
    12  C    0.853009
    13  C    0.742338
    14  H   -0.539633
    15  H   -0.146424
    16  H   -0.267199
    17  H   -0.207500
    18  O   -0.504422
    19  O   -0.405797
    20  H    0.174081
    21  C   -0.195054
    22  C   -0.739629
    23  C    1.957336
    24  O   -0.495174
    25  C    0.915772
    26  H   -0.956040
    27  H   -0.876927
    28  H   -1.210994
    29  H   -0.088816
    30  H   -0.483395
    31  H   -0.088389
 Sum of Mulliken charges =  -0.00000
 Mulliken charges with hydrogens summed into heavy atoms:
               1
     1  C    0.477879
     2  C    0.698251
     3  C    0.236486
     4  C    0.248154
     5  C   -0.770543
     6  C    0.029590
     7  C    0.590894
    11  C   -0.443524
    12  C    0.231884
    13  C    0.742338
    18  O   -0.504422
    19  O   -0.231717
    21  C   -1.071981
    22  C   -0.739629
    23  C    0.746342
    24  O   -0.495174
    25  C    0.255172
 Electronic spatial extent (au):  <R**2>=           5398.1967
 Charge=              0.0000 electrons
 Dipole moment (field-independent basis, Debye):
    X=              5.1724    Y=              3.1578    Z=              0.7348  Tot=              6.1045
 Quadrupole moment (field-independent basis, Debye-Ang):
   XX=           -110.5093   YY=            -93.7762   ZZ=           -104.2550
   XY=             -5.1997   XZ=             -8.0256   YZ=             -4.4016
 Traceless Quadrupole moment (field-independent basis, Debye-Ang):
   XX=             -7.6625   YY=              9.0707   ZZ=             -1.4082
   XY=             -5.1997   XZ=             -8.0256   YZ=             -4.4016
 Octapole moment (field-independent basis, Debye-Ang**2):
  XXX=            208.1670  YYY=             -4.4036  ZZZ=             -6.5678  XYY=             10.1758
  XXY=             82.4183  XXZ=             15.9422  XZZ=             -0.1229  YZZ=              1.1426
  YYZ=              0.9800  XYZ=              4.8756
 Hexadecapole moment (field-independent basis, Debye-Ang**3):
 XXXX=          -6029.7931 YYYY=           -761.9093 ZZZZ=           -467.2722 XXXY=            -71.9052
 XXXZ=           -157.5332 YYYX=            -15.7067 YYYZ=            -17.3207 ZZZX=             -2.8170
 ZZZY=              1.9809 XXYY=          -1118.7795 XXZZ=          -1092.5228 YYZZ=           -225.2407
 XXYZ=            -42.9080 YYXZ=              2.3300 ZZXY=             -2.3428
 N-N= 1.136479409844D+03 E-N=-4.059144251315D+03  KE= 7.620856047339D+02
 No NMR shielding tensors so no spin-rotation constants.
 Leave Link  601 at Mon Aug 16 23:54:37 2021, MaxMem=  5637144576 cpu:               3.3 elap:               0.6
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l716.exe)
 Electric field and nuclear coordinate derivatives read from checkpoint file.
 Rotating derivatives to standard orientation.
 Dipole        = 2.03985586D+00 1.24897840D+00 2.79794449D-01
 Polarizability= 2.69966724D+02-8.74665879D+00 1.63259685D+02
                -9.92468520D+00-7.70018486D+00 1.12641812D+02
 Translational dAlpha, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -0.0000    0.0000        0.0000    0.0000       -0.0000    0.0000
 2     -0.0000    0.0000       -0.0000    0.0000        0.0000    0.0000
 3      0.0000    0.0000        0.0000    0.0000        0.0000    0.0000
 4      0.0000    0.0000       -0.0000    0.0000        0.0000    0.0000
 5      0.0000    0.0000        0.0000    0.0000        0.0000    0.0000
 6      0.0000    0.0000       -0.0000    0.0000        0.0000    0.0000
 Translational dG, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      0.0000    0.0000        5.1120    5.1120       -5.6673   -5.6662
 2     -5.1120   -5.1120        4.0696    4.0693      -62.2218  -62.2219
 3      5.6673    5.6662       89.8113   89.8106       -4.0705   -4.0693
 4     -4.0696   -4.0693       -0.0000    0.0000        5.6663    5.6662
 5    -27.5895  -27.5887       -5.6663   -5.6662        5.1110    5.1120
 6      4.0705    4.0693       -5.1110   -5.1120        0.0000    0.0000
 Translational dA, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      0.0000    0.0000      -15.3359  -15.3359      -16.9986  -16.9986
 2    -12.2079  -12.2079       -0.0000    0.0000      -16.9986  -16.9986
 3    -12.2079  -12.2079      -15.3359  -15.3359       -0.0000    0.0000
 4    -15.3359  -15.3359       12.2079   12.2079     -186.6657 -186.6657
 5     16.9986   16.9986      269.4317  269.4317      -12.2079  -12.2079
 6    -82.7660  -82.7660      -16.9986  -16.9986       15.3359   15.3359
 Rotational dAlpha, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      0.1229    0.0000      -20.2633  -20.4478       22.7355   22.6647
 2     20.4013   20.4478      -16.2978  -16.2773      248.7193  248.8876
 3    -22.6612  -22.6647     -359.2272 -359.2422       16.2694   16.2773
 4     16.2874   16.2773        0.0072    0.0000      -22.6431  -22.6647
 5    110.2977  110.3546       22.7144   22.6647      -20.4584  -20.4478
 6    -16.2797  -16.2773       20.4496   20.4478        0.0393    0.0000
 Rotational dG, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      0.0038    0.0000       33.5953   33.5855        6.4875    6.4843
 2    -33.6208  -33.5855      -90.1649  -90.1042        6.2537    6.1954
 3     -6.3945   -6.4843       66.4045   66.3084       90.1878   90.1042
 4     90.1397   90.1042       -0.0337    0.0000       -6.4683   -6.4843
 5    -72.4347  -72.5038        6.4531    6.4843       33.5981   33.5855
 6    -90.1313  -90.1042      -33.5473  -33.5855        0.0381    0.0000
 Rotational dA, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     38.5652   38.5436       42.6408   42.7202        5.3074    5.3177
 2    190.5955  190.5915      113.0911  113.1950        5.2548    5.3177
 3    190.6014  190.5915       42.6293   42.7202       -2.3558   -2.3201
 4    -70.4728  -70.4748     -152.1733 -152.0480       22.6991   22.6561
 5     -7.5529   -7.6378       74.6790   74.5343      152.2452  152.0480
 6    -97.0485  -97.1904        7.7030    7.6378       70.6359   70.4748
 Full mass-weighted force constant matrix:
 Low frequencies ---   -2.9330   -1.2631   -0.0005    0.0001    0.0007    3.6137
 Low frequencies ---   20.9639   30.9939   46.3843
 Diagonal vibrational polarizability:
      126.3919677     136.0127577      98.8231612
 Harmonic frequencies (cm**-1), IR intensities (KM/Mole), Raman scattering
 activities (A**4/AMU), depolarization ratios for plane and unpolarized
 incident light, reduced masses (AMU), force constants (mDyne/A),
 Raman invariants Alpha2 = alpha**2, Beta2 = beta(alpha)**2 (A**4/AMU)
 ROA invariants AlphaG = alphaG', Gamma2 = beta(G')**2, Delta2 = beta(A)**2, (10**4 A**5/AMU)
 Far-From-Resonance Raman intensities (K), ROA intensites (10**4 K), CID=(ROA/Raman)*10**4
    Raman1;ROA1;CID1 =ICPu/SCPu(180), Raman2;ROA2;CID2 =ICPd/SCPd(90)
    Raman3;ROA3;CID3 =DCPI(180) RC180 = degree of circularity
 and normal coordinates:
 Incident light (cm**-1):   19436.35
                      1                      2                      3
                      A                      A                      A
 Frequencies --     20.9332                30.9816                46.3837
 Red. masses --      4.6169                 7.2286                 5.1424
 Frc consts  --      0.0012                 0.0041                 0.0065
 IR Inten    --      2.4872                 5.1536                 0.2753
 RamAct Fr= 1--      4.0517                 2.6500                 3.5168
  Dep-P Fr= 1--      0.7462                 0.7442                 0.7415
  Dep-U Fr= 1--      0.8546                 0.8534                 0.8515
 Alpha2 Fr= 1--      0.0003                 0.0003                 0.0005
 Beta2  Fr= 1--      0.5771                 0.3769                 0.4991
 AlphaG Fr= 1--     -0.0019                 0.0087                 0.0038
 Gamma2 Fr= 1--      0.8398                -0.5693                 1.9200
 Delta2 Fr= 1--      1.0187                -0.6757                 0.5689
 Raman1 Fr= 1--      16.207                 10.600                 14.067
 ROA1   Fr= 1--     113.222                -76.275                202.524
 CID1   Fr= 1--       6.986                 -7.196                 14.397
 Raman2 Fr= 1--       6.925                  4.523                  5.989
 ROA2   Fr= 1--      12.007                 -8.258                 41.528
 CID2   Fr= 1--       1.734                 -1.826                  6.934
 Raman3 Fr= 1--      13.851                  9.046                 11.979
 ROA3   Fr= 1--     113.222                -76.275                202.524
 CID3   Fr= 1--       8.174                 -8.432                 16.907
 RC180  Fr= 1--       0.709                  0.707                  0.703
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.01   0.00  -0.11    -0.02   0.02   0.06    -0.02   0.03   0.09
     2   6     0.01   0.02   0.02    -0.01  -0.00  -0.00    -0.01   0.04   0.13
     3   6    -0.02   0.01  -0.14    -0.02   0.03   0.07    -0.02   0.04   0.07
     4   6     0.00   0.03  -0.07    -0.01   0.03   0.03    -0.01   0.04   0.07
     5   6     0.02   0.05   0.04    -0.01   0.01  -0.03     0.00   0.05   0.15
     6   6     0.02   0.04   0.09    -0.01  -0.00  -0.05     0.00   0.05   0.19
     7   6    -0.03  -0.02  -0.18    -0.03   0.02   0.11    -0.03   0.02   0.03
     8   1    -0.03   0.00  -0.23    -0.03   0.04   0.10    -0.03   0.03   0.02
     9   1     0.04   0.06   0.10    -0.00   0.01  -0.06     0.01   0.06   0.17
    10   1     0.04   0.05   0.17    -0.00  -0.02  -0.09     0.01   0.06   0.24
    11   6     0.00   0.05  -0.07    -0.01   0.02   0.01    -0.02   0.03  -0.06
    12   6     0.02   0.23  -0.04    -0.04   0.00  -0.01    -0.15   0.12  -0.08
    13   6     0.01  -0.08   0.06     0.07  -0.01  -0.02     0.09  -0.06  -0.05
    14   1    -0.00   0.01  -0.19    -0.02   0.01  -0.00    -0.01  -0.00  -0.16
    15   1     0.02   0.27   0.07    -0.06  -0.00  -0.01    -0.15   0.16   0.02
    16   1     0.02   0.24  -0.02    -0.04   0.00  -0.02    -0.15   0.09  -0.18
    17   1     0.03   0.30  -0.14    -0.06  -0.01   0.01    -0.23   0.18  -0.10
    18   8     0.09  -0.16   0.18     0.28  -0.35   0.06     0.07  -0.06  -0.10
    19   8    -0.08  -0.10   0.01    -0.09   0.36  -0.15     0.20  -0.14   0.02
    20   1    -0.12  -0.02  -0.09    -0.20   0.58  -0.21     0.20  -0.13   0.06
    21   6    -0.03  -0.03  -0.13    -0.03  -0.00   0.09    -0.04  -0.01  -0.03
    22   6    -0.01  -0.01  -0.01    -0.02  -0.02   0.02    -0.03  -0.01  -0.02
    23   6     0.01   0.01   0.06    -0.02  -0.02  -0.03    -0.01   0.01   0.08
    24   8    -0.01  -0.02   0.03    -0.03  -0.04  -0.01    -0.04  -0.04  -0.14
    25   6     0.02  -0.00   0.17    -0.02  -0.06  -0.10    -0.03  -0.06  -0.23
    26   1    -0.05  -0.03  -0.27    -0.03   0.03   0.16    -0.04   0.02   0.02
    27   1    -0.04  -0.04  -0.19    -0.04   0.00   0.12    -0.05  -0.02  -0.09
    28   1     0.03   0.02   0.16    -0.01  -0.03  -0.08    -0.00   0.01   0.09
    29   1     0.06   0.09   0.20    -0.04  -0.11  -0.11    -0.14  -0.06  -0.19
    30   1     0.02  -0.01   0.19    -0.02  -0.07  -0.11    -0.04  -0.09  -0.35
    31   1    -0.01  -0.07   0.23     0.01  -0.01  -0.14     0.09  -0.06  -0.21
                      4                      5                      6
                      A                      A                      A
 Frequencies --     90.6615               121.1625               144.1336
 Red. masses --      3.9827                 4.3007                 4.3281
 Frc consts  --      0.0193                 0.0372                 0.0530
 IR Inten    --      3.4036                 0.0874                 0.1758
 RamAct Fr= 1--      0.9386                 0.3989                 1.0047
  Dep-P Fr= 1--      0.6849                 0.4359                 0.6445
  Dep-U Fr= 1--      0.8130                 0.6072                 0.7838
 Alpha2 Fr= 1--      0.0011                 0.0026                 0.0019
 Beta2  Fr= 1--      0.1272                 0.0404                 0.1313
 AlphaG Fr= 1--     -0.0030                -0.0095                -0.0104
 Gamma2 Fr= 1--     -0.6797                -0.1636                 1.7780
 Delta2 Fr= 1--     -0.3602                 0.1433                 1.2821
 Raman1 Fr= 1--       3.754                  1.596                  4.019
 ROA1   Fr= 1--     -76.782                -11.117                211.719
 CID1   Fr= 1--     -20.451                 -6.967                 52.680
 Raman2 Fr= 1--       1.526                  0.484                  1.575
 ROA2   Fr= 1--     -13.432                 -5.072                 32.416
 CID2   Fr= 1--      -8.801                -10.470                 20.581
 Raman3 Fr= 1--       3.052                  0.969                  3.150
 ROA3   Fr= 1--     -76.782                -11.117                211.719
 CID3   Fr= 1--     -25.155                -11.474                 67.210
 RC180  Fr= 1--       0.626                  0.214                  0.568
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.02   0.02   0.02    -0.04   0.08  -0.10    -0.01  -0.09  -0.10
     2   6    -0.02   0.00  -0.09    -0.02   0.07  -0.06    -0.03  -0.09  -0.11
     3   6    -0.01   0.05   0.12    -0.03   0.10  -0.10    -0.01  -0.07  -0.00
     4   6    -0.01   0.05   0.09    -0.02   0.11  -0.03     0.01  -0.04   0.10
     5   6    -0.02   0.02  -0.03    -0.02   0.11  -0.01     0.00  -0.05   0.07
     6   6    -0.02  -0.00  -0.11    -0.01   0.09  -0.04    -0.01  -0.07  -0.05
     7   6    -0.04   0.01  -0.00    -0.10   0.05  -0.09     0.01  -0.08  -0.13
     8   1    -0.01   0.07   0.20    -0.04   0.10  -0.12    -0.02  -0.07  -0.01
     9   1    -0.01   0.02  -0.07    -0.00   0.12   0.02     0.01  -0.04   0.14
    10   1    -0.02  -0.02  -0.20    -0.00   0.09  -0.02    -0.00  -0.08  -0.07
    11   6    -0.01   0.02   0.06    -0.00   0.00   0.05     0.00   0.03   0.06
    12   6    -0.07  -0.01   0.04     0.12  -0.19   0.06    -0.13   0.14   0.03
    13   6     0.08  -0.01   0.02     0.06  -0.03   0.03     0.05   0.04   0.03
    14   1    -0.03   0.01   0.05    -0.12  -0.01   0.15     0.07   0.03  -0.01
    15   1    -0.04   0.00   0.05     0.28  -0.18  -0.06    -0.19   0.15   0.14
    16   1    -0.07  -0.07  -0.02     0.12  -0.34   0.14    -0.13   0.18  -0.07
    17   1    -0.14   0.01   0.06     0.07  -0.20   0.11    -0.17   0.17   0.02
    18   8     0.08  -0.03  -0.05     0.06  -0.05  -0.00     0.04   0.02  -0.03
    19   8     0.17  -0.01   0.07     0.12  -0.07   0.06     0.12   0.07   0.06
    20   1     0.16   0.01   0.13     0.11  -0.04   0.09     0.12   0.06   0.11
    21   6    -0.05  -0.02  -0.09    -0.09   0.02   0.01     0.02  -0.04  -0.04
    22   6    -0.04  -0.03  -0.12    -0.05   0.01   0.06     0.01  -0.01   0.03
    23   6    -0.03  -0.02  -0.15    -0.01   0.03  -0.00    -0.03  -0.05  -0.09
    24   8    -0.04  -0.04  -0.11    -0.05  -0.05   0.18     0.03   0.10   0.23
    25   6     0.00   0.02   0.26     0.01  -0.15  -0.07    -0.08   0.10  -0.09
    26   1    -0.05   0.03   0.06    -0.14   0.07  -0.13     0.04  -0.10  -0.17
    27   1    -0.05  -0.02  -0.09    -0.12   0.01   0.04     0.04  -0.02  -0.01
    28   1    -0.02  -0.04  -0.20     0.04   0.02   0.03    -0.06  -0.04  -0.07
    29   1     0.19   0.21   0.29     0.01  -0.33  -0.15    -0.09  -0.24  -0.23
    30   1     0.01   0.03   0.40    -0.01  -0.22  -0.04    -0.05   0.20   0.05
    31   1    -0.16  -0.15   0.38     0.09   0.01  -0.21    -0.19   0.33  -0.33
                      7                      8                      9
                      A                      A                      A
 Frequencies --    182.2079               188.3465               218.4087
 Red. masses --      3.3711                 3.4736                 1.0807
 Frc consts  --      0.0659                 0.0726                 0.0304
 IR Inten    --      0.5494                 1.9241                 0.6819
 RamAct Fr= 1--      4.4534                 2.2810                 0.3332
  Dep-P Fr= 1--      0.3372                 0.3319                 0.4498
  Dep-U Fr= 1--      0.5044                 0.4984                 0.6205
 Alpha2 Fr= 1--      0.0407                 0.0212                 0.0020
 Beta2  Fr= 1--      0.3744                 0.1895                 0.0345
 AlphaG Fr= 1--      0.0201                 0.0120                 0.0008
 Gamma2 Fr= 1--      2.2211                -3.5992                 0.0491
 Delta2 Fr= 1--     -0.9915                -0.0641                -0.0212
 Raman1 Fr= 1--      17.814                  9.124                  1.333
 ROA1   Fr= 1--     181.500               -347.575                  4.038
 CID1   Fr= 1--      10.189                -38.095                  3.030
 Raman2 Fr= 1--       4.493                  2.274                  0.413
 ROA2   Fr= 1--      61.240                -85.867                  1.348
 CID2   Fr= 1--      13.631                -37.769                  3.261
 Raman3 Fr= 1--       8.985                  4.547                  0.827
 ROA3   Fr= 1--     181.500               -347.575                  4.038
 CID3   Fr= 1--      20.200                -76.440                  4.883
 RC180  Fr= 1--       0.009                 -0.003                  0.241
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.03   0.04  -0.05    -0.02  -0.04  -0.07    -0.00   0.01   0.01
     2   6     0.02   0.04  -0.09    -0.02  -0.04  -0.07     0.00   0.00   0.00
     3   6     0.02  -0.00  -0.02    -0.03  -0.02  -0.15    -0.00   0.01   0.01
     4   6    -0.02  -0.02   0.06     0.02   0.02  -0.04     0.00   0.01   0.00
     5   6    -0.02   0.01   0.16     0.04   0.05   0.16     0.01   0.01  -0.00
     6   6    -0.02   0.04   0.05     0.03   0.01   0.10     0.01   0.01   0.00
     7   6     0.04   0.06   0.02    -0.02  -0.01   0.12    -0.01   0.00  -0.00
     8   1     0.07  -0.03  -0.06    -0.06  -0.02  -0.24    -0.00   0.01   0.01
     9   1    -0.03   0.02   0.28     0.06   0.09   0.34     0.01   0.01  -0.00
    10   1    -0.07   0.07   0.09     0.07   0.01   0.21     0.01   0.00  -0.00
    11   6    -0.04  -0.04   0.01     0.03   0.02  -0.03     0.00   0.02  -0.01
    12   6    -0.16  -0.00  -0.02     0.11  -0.01  -0.01    -0.02  -0.03  -0.03
    13   6    -0.05  -0.03  -0.00     0.03   0.01  -0.01     0.01   0.01  -0.00
    14   1    -0.01  -0.04  -0.03     0.00   0.02  -0.01     0.02   0.03   0.01
    15   1    -0.22  -0.01   0.02     0.16  -0.00  -0.05    -0.51  -0.28  -0.25
    16   1    -0.16   0.03  -0.12     0.12  -0.03   0.07    -0.01   0.51   0.06
    17   1    -0.19  -0.00   0.00     0.15  -0.01  -0.02     0.42  -0.37   0.10
    18   8    -0.06  -0.02  -0.00     0.03   0.01   0.01     0.02   0.00   0.03
    19   8    -0.08  -0.01  -0.02     0.02  -0.02  -0.01     0.00  -0.03   0.00
    20   1    -0.08  -0.02  -0.03     0.02  -0.02  -0.03    -0.00  -0.01  -0.02
    21   6     0.04   0.07   0.05    -0.01  -0.01   0.20    -0.01  -0.00  -0.01
    22   6     0.04   0.05  -0.05    -0.03  -0.04  -0.03    -0.00  -0.00  -0.00
    23   6     0.03   0.04  -0.17    -0.04  -0.07  -0.15    -0.00  -0.00  -0.01
    24   8     0.04  -0.03   0.04    -0.03   0.01  -0.08    -0.00   0.00   0.01
    25   6     0.20  -0.14   0.02    -0.13   0.09   0.03    -0.01   0.01  -0.00
    26   1     0.05   0.07   0.08    -0.02   0.01   0.24    -0.01   0.00  -0.01
    27   1     0.05   0.09   0.15    -0.00   0.03   0.39    -0.01  -0.01  -0.02
    28   1     0.04   0.02  -0.24    -0.05  -0.09  -0.25     0.00  -0.00  -0.01
    29   1     0.43  -0.24  -0.09    -0.06   0.09   0.01     0.01  -0.03  -0.02
    30   1     0.18  -0.24   0.27    -0.09   0.21   0.14    -0.01   0.02   0.04
    31   1     0.12  -0.02  -0.11    -0.30   0.06   0.03    -0.05   0.03  -0.03
                     10                     11                     12
                      A                      A                      A
 Frequencies --    231.0049               259.1101               286.9122
 Red. masses --      1.4984                 2.4925                 2.7928
 Frc consts  --      0.0471                 0.0986                 0.1355
 IR Inten    --      2.2999                 8.1307                 0.1718
 RamAct Fr= 1--      1.6130                 0.7490                 1.1636
  Dep-P Fr= 1--      0.6815                 0.7497                 0.5571
  Dep-U Fr= 1--      0.8106                 0.8569                 0.7156
 Alpha2 Fr= 1--      0.0019                 0.0000                 0.0043
 Beta2  Fr= 1--      0.2179                 0.1070                 0.1388
 AlphaG Fr= 1--     -0.0018                -0.0001                -0.0038
 Gamma2 Fr= 1--      0.5099                -0.7833                 0.5900
 Delta2 Fr= 1--      0.0311                 0.2983                -0.0691
 Raman1 Fr= 1--       6.452                  2.996                  4.654
 ROA1   Fr= 1--      49.945                -65.649                 54.430
 CID1   Fr= 1--       7.741                -21.913                 11.694
 Raman2 Fr= 1--       2.615                  1.284                  1.665
 ROA2   Fr= 1--      11.988                -21.185                 14.713
 CID2   Fr= 1--       4.584                -16.504                  8.835
 Raman3 Fr= 1--       5.230                  2.567                  3.331
 ROA3   Fr= 1--      49.945                -65.649                 54.430
 CID3   Fr= 1--       9.550                -25.572                 16.343
 RC180  Fr= 1--       0.621                  0.714                  0.431
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.01   0.02   0.08    -0.02  -0.02   0.00     0.00   0.02   0.08
     2   6     0.01   0.01   0.04    -0.04   0.01   0.05    -0.02   0.00  -0.04
     3   6     0.01   0.03   0.08    -0.02  -0.07  -0.05     0.01   0.01   0.14
     4   6     0.01   0.02  -0.00    -0.03  -0.08  -0.04     0.01  -0.02   0.02
     5   6     0.02   0.02  -0.00    -0.07  -0.06  -0.03    -0.02   0.00   0.08
     6   6     0.02   0.01   0.04    -0.07  -0.01   0.02    -0.02   0.02   0.05
     7   6    -0.01  -0.00   0.01     0.00   0.00   0.01    -0.01   0.01   0.01
     8   1     0.00   0.04   0.11    -0.00  -0.08  -0.07     0.02   0.02   0.20
     9   1     0.03   0.02  -0.04    -0.10  -0.09  -0.05    -0.03  -0.01   0.11
    10   1     0.04   0.01   0.04    -0.09   0.00   0.03    -0.03   0.02   0.07
    11   6     0.01   0.00  -0.03    -0.01  -0.04   0.02     0.02  -0.04  -0.04
    12   6     0.04  -0.03  -0.03     0.14   0.12   0.09     0.17   0.07   0.02
    13   6    -0.01  -0.01  -0.02     0.00  -0.02   0.01    -0.00  -0.04  -0.04
    14   1    -0.01  -0.00  -0.02     0.01  -0.04  -0.02     0.01  -0.05  -0.07
    15   1     0.14   0.01  -0.02     0.03   0.09   0.11     0.15   0.07   0.04
    16   1     0.04  -0.14  -0.02     0.15   0.32   0.26     0.18   0.17   0.20
    17   1    -0.03   0.02  -0.04     0.37   0.10  -0.04     0.34   0.08  -0.10
    18   8    -0.01   0.01   0.02    -0.01  -0.03  -0.09    -0.03  -0.01  -0.06
    19   8    -0.05  -0.03  -0.04     0.08   0.06   0.03    -0.03  -0.01  -0.07
    20   1    -0.05  -0.03  -0.07     0.09   0.04   0.12    -0.02  -0.05  -0.08
    21   6    -0.01  -0.03  -0.07    -0.00   0.04   0.01    -0.02  -0.00  -0.09
    22   6    -0.00  -0.02  -0.04    -0.03   0.05  -0.00    -0.03   0.01  -0.06
    23   6     0.00  -0.02  -0.02    -0.04   0.05   0.05    -0.03  -0.01  -0.15
    24   8     0.00   0.00   0.03    -0.03   0.00  -0.06    -0.02   0.02   0.14
    25   6    -0.04   0.02  -0.01     0.08  -0.06   0.00    -0.00  -0.02   0.01
    26   1    -0.02  -0.00  -0.01     0.03  -0.01   0.01    -0.01   0.01   0.03
    27   1    -0.02  -0.05  -0.14     0.03   0.06   0.01    -0.01  -0.00  -0.13
    28   1     0.01  -0.03  -0.06    -0.06   0.06   0.03    -0.03  -0.01  -0.16
    29   1     0.29  -0.30  -0.25     0.39  -0.20  -0.15    -0.30   0.13   0.16
    30   1     0.01   0.15   0.51     0.07  -0.09   0.38    -0.04  -0.12  -0.40
    31   1    -0.45   0.24  -0.29    -0.15   0.07  -0.16     0.35  -0.10   0.16
                     13                     14                     15
                      A                      A                      A
 Frequencies --    331.7930               358.9141               400.9435
 Red. masses --      4.5733                 5.4237                 5.1285
 Frc consts  --      0.2966                 0.4117                 0.4857
 IR Inten    --      4.6755                 4.2088                 0.5973
 RamAct Fr= 1--      0.7674                12.1250                 1.0354
  Dep-P Fr= 1--      0.1537                 0.1619                 0.5037
  Dep-U Fr= 1--      0.2664                 0.2786                 0.6700
 Alpha2 Fr= 1--      0.0118                 0.1819                 0.0050
 Beta2  Fr= 1--      0.0341                 0.5631                 0.1156
 AlphaG Fr= 1--      0.0299                -0.0720                 0.0252
 Gamma2 Fr= 1--      0.9998                -2.9283                -1.7372
 Delta2 Fr= 1--      0.1556                -0.3718                -0.3275
 Raman1 Fr= 1--       3.070                 48.500                  4.142
 ROA1   Fr= 1--     100.960               -293.020               -177.253
 CID1   Fr= 1--      32.891                 -6.042                -42.798
 Raman2 Fr= 1--       0.409                  6.757                  1.387
 ROA2   Fr= 1--      22.750                -67.306                -39.073
 CID2   Fr= 1--      55.639                 -9.961                -28.164
 Raman3 Fr= 1--       0.818                 13.514                  2.775
 ROA3   Fr= 1--     100.960               -293.020               -177.253
 CID3   Fr= 1--     123.458                -21.682                -63.882
 RC180  Fr= 1--      -0.467                 -0.443                  0.340
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.09  -0.12   0.05    -0.09  -0.07   0.06    -0.05  -0.06  -0.11
     2   6    -0.12  -0.10   0.03    -0.01  -0.13   0.04    -0.03  -0.07  -0.08
     3   6    -0.10  -0.08   0.03    -0.15   0.10  -0.02    -0.04   0.07   0.18
     4   6    -0.01  -0.02  -0.01    -0.11   0.15  -0.08     0.01   0.11   0.20
     5   6    -0.03  -0.03   0.01     0.04   0.10  -0.04     0.03   0.08   0.11
     6   6    -0.05  -0.08   0.03     0.07  -0.07   0.06     0.02  -0.04  -0.12
     7   6     0.00  -0.07   0.02     0.00  -0.04   0.04    -0.03  -0.06  -0.19
     8   1    -0.17  -0.04   0.03    -0.25   0.16  -0.02    -0.10   0.12   0.26
     9   1    -0.03  -0.04   0.01     0.18   0.18  -0.07     0.07   0.11   0.12
    10   1     0.01  -0.11   0.05     0.17  -0.12   0.10     0.07  -0.09  -0.22
    11   6     0.04   0.12  -0.07    -0.18   0.12  -0.01     0.01  -0.01   0.02
    12   6     0.03  -0.07  -0.12     0.02  -0.01   0.04     0.07   0.03   0.06
    13   6     0.08   0.12  -0.02    -0.14   0.01   0.01     0.03  -0.05  -0.06
    14   1     0.09   0.16  -0.01    -0.26   0.11   0.05    -0.05  -0.04   0.01
    15   1     0.21  -0.05  -0.23     0.08  -0.05  -0.13     0.07   0.04   0.08
    16   1     0.03  -0.29  -0.15     0.03  -0.03   0.22     0.08   0.10   0.19
    17   1    -0.12  -0.08  -0.02     0.12  -0.09   0.07     0.19   0.04  -0.02
    18   8     0.14   0.11   0.17    -0.09  -0.15  -0.10     0.01   0.00  -0.07
    19   8     0.03  -0.05  -0.03     0.03   0.01   0.10    -0.10  -0.09  -0.15
    20   1     0.01  -0.00  -0.15    -0.03   0.13   0.19    -0.07  -0.15  -0.27
    21   6     0.00   0.06  -0.03     0.04  -0.04  -0.03     0.00   0.03   0.16
    22   6    -0.05   0.10  -0.03     0.12  -0.05  -0.04     0.02   0.03   0.17
    23   6    -0.13   0.03  -0.02     0.01  -0.12  -0.03    -0.02  -0.01   0.12
    24   8    -0.05   0.10   0.00     0.16   0.08   0.01     0.01   0.03  -0.13
    25   6     0.17  -0.04  -0.00     0.18   0.10  -0.03     0.07   0.02  -0.02
    26   1     0.11  -0.12   0.04     0.08  -0.08   0.06    -0.02  -0.11  -0.35
    27   1     0.07   0.11  -0.05    -0.02  -0.08  -0.03     0.00   0.03   0.21
    28   1    -0.21   0.08  -0.03    -0.05  -0.09  -0.04    -0.05  -0.01   0.07
    29   1     0.28   0.01  -0.01     0.15   0.10  -0.01     0.22   0.05  -0.05
    30   1     0.11  -0.27   0.00     0.17   0.06  -0.08     0.06  -0.02   0.12
    31   1     0.33   0.00  -0.01     0.25   0.10  -0.02    -0.00   0.01  -0.03
                     16                     17                     18
                      A                      A                      A
 Frequencies --    414.5702               465.6080               481.8818
 Red. masses --      3.2747                 4.0224                 4.9630
 Frc consts  --      0.3316                 0.5138                 0.6790
 IR Inten    --      0.3533                21.5460                 4.0466
 RamAct Fr= 1--      4.0423                 0.7949                 3.5695
  Dep-P Fr= 1--      0.7492                 0.5898                 0.1597
  Dep-U Fr= 1--      0.8567                 0.7420                 0.2754
 Alpha2 Fr= 1--      0.0001                 0.0024                 0.0538
 Beta2  Fr= 1--      0.5771                 0.0983                 0.1638
 AlphaG Fr= 1--      0.0057                 0.0236                 0.0190
 Gamma2 Fr= 1--      0.4125                -0.7983                 0.8527
 Delta2 Fr= 1--     -0.3607                -0.0572                -0.1515
 Raman1 Fr= 1--      16.169                  3.179                 14.278
 ROA1   Fr= 1--      28.057                -78.468                 77.013
 CID1   Fr= 1--       1.735                -24.680                  5.394
 Raman2 Fr= 1--       6.926                  1.180                  1.966
 ROA2   Fr= 1--      12.786                -18.702                 21.676
 CID2   Fr= 1--       1.846                -15.855                 11.025
 Raman3 Fr= 1--      13.851                  2.359                  3.932
 ROA3   Fr= 1--      28.057                -78.468                 77.013
 CID3   Fr= 1--       2.026                -33.261                 19.585
 RC180  Fr= 1--       0.713                  0.484                 -0.449
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.01  -0.00  -0.06    -0.00   0.08  -0.01    -0.06   0.09  -0.01
     2   6     0.01   0.02   0.05     0.03   0.05  -0.06    -0.04   0.08   0.05
     3   6     0.02   0.01   0.13    -0.03  -0.06   0.07    -0.06   0.00  -0.06
     4   6    -0.01  -0.03  -0.06    -0.10  -0.10   0.06    -0.07  -0.03   0.00
     5   6    -0.02  -0.05  -0.17    -0.10  -0.12   0.12    -0.15  -0.01  -0.07
     6   6     0.01   0.04   0.21    -0.11  -0.02  -0.06    -0.13   0.08   0.06
     7   6    -0.01  -0.03  -0.20     0.01   0.09  -0.05    -0.07   0.08   0.01
     8   1     0.05   0.04   0.35     0.09  -0.13   0.05    -0.02  -0.02  -0.07
     9   1    -0.04  -0.08  -0.33    -0.13  -0.13   0.20    -0.22  -0.07  -0.14
    10   1     0.01   0.09   0.41    -0.26   0.05  -0.11    -0.21   0.12   0.06
    11   6    -0.01   0.01  -0.02    -0.11   0.16  -0.09     0.01  -0.09   0.07
    12   6    -0.01  -0.01  -0.03     0.09   0.00  -0.10    -0.03   0.01   0.12
    13   6    -0.02   0.01   0.02    -0.08   0.13  -0.05     0.14  -0.01  -0.03
    14   1     0.01   0.02  -0.01     0.04   0.23  -0.03    -0.05  -0.10   0.07
    15   1    -0.01  -0.02  -0.04     0.29  -0.00  -0.30    -0.08   0.05   0.26
    16   1    -0.01  -0.03  -0.05     0.10  -0.15   0.13    -0.03   0.09   0.10
    17   1    -0.04  -0.02  -0.00     0.14  -0.05  -0.07    -0.01   0.09   0.01
    18   8    -0.00  -0.01   0.02     0.03  -0.03   0.04     0.10   0.12   0.06
    19   8     0.03   0.03   0.04     0.06  -0.04   0.05    -0.01  -0.03  -0.14
    20   1     0.03   0.03   0.09    -0.11   0.29  -0.05     0.11  -0.25  -0.21
    21   6     0.01   0.03   0.16     0.02   0.02   0.01    -0.04  -0.12   0.02
    22   6     0.00   0.01   0.05     0.10  -0.03   0.06     0.08  -0.16  -0.02
    23   6    -0.00  -0.02  -0.14     0.08  -0.00   0.03     0.00  -0.17  -0.01
    24   8    -0.00  -0.02  -0.02     0.11  -0.11  -0.02     0.16   0.02   0.01
    25   6    -0.02  -0.01   0.00    -0.06   0.01   0.00     0.12   0.11  -0.03
    26   1    -0.03  -0.06  -0.38    -0.01   0.09  -0.11    -0.16   0.14   0.04
    27   1     0.02   0.05   0.27    -0.06  -0.04  -0.01    -0.22  -0.24   0.09
    28   1    -0.01  -0.06  -0.35     0.09  -0.01   0.02     0.09  -0.21  -0.02
    29   1    -0.04   0.03   0.03    -0.16  -0.03   0.01     0.08   0.09  -0.02
    30   1    -0.02   0.00  -0.03     0.00   0.21  -0.01     0.13   0.13  -0.06
    31   1    -0.01  -0.04   0.04    -0.20  -0.04   0.01     0.12   0.10  -0.02
                     19                     20                     21
                      A                      A                      A
 Frequencies --    486.1414               509.7037               533.8700
 Red. masses --      2.5453                 3.9595                 3.2844
 Frc consts  --      0.3544                 0.6061                 0.5515
 IR Inten    --     15.4270                13.0543                 9.8064
 RamAct Fr= 1--      0.1374                 3.9943                 2.9790
  Dep-P Fr= 1--      0.6657                 0.6596                 0.6859
  Dep-U Fr= 1--      0.7993                 0.7949                 0.8137
 Alpha2 Fr= 1--      0.0002                 0.0064                 0.0034
 Beta2  Fr= 1--      0.0183                 0.5292                 0.4040
 AlphaG Fr= 1--      0.0005                 0.0347                 0.0488
 Gamma2 Fr= 1--     -0.3031                 0.2579                -1.4168
 Delta2 Fr= 1--      0.0209                 0.7988                -0.0877
 Raman1 Fr= 1--       0.549                 15.977                 11.916
 ROA1   Fr= 1--     -28.427                 50.316               -138.824
 CID1   Fr= 1--     -51.739                  3.149                -11.650
 Raman2 Fr= 1--       0.220                  6.350                  4.848
 ROA2   Fr= 1--      -7.442                 -0.202                -33.302
 CID2   Fr= 1--     -33.891                 -0.032                 -6.869
 Raman3 Fr= 1--       0.439                 12.700                  9.696
 ROA3   Fr= 1--     -28.427                 50.316               -138.824
 CID3   Fr= 1--     -64.732                  3.962                -14.318
 RC180  Fr= 1--       0.599                  0.590                  0.627
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.02   0.03   0.21    -0.03  -0.04  -0.02     0.03  -0.08   0.02
     2   6     0.01   0.03   0.18     0.04  -0.04   0.07    -0.07  -0.03   0.01
     3   6    -0.01  -0.02  -0.11    -0.05  -0.01  -0.06    -0.01   0.08  -0.01
     4   6     0.01   0.01   0.03    -0.04   0.02   0.03    -0.04   0.09  -0.02
     5   6     0.01   0.01   0.05     0.03  -0.05  -0.09    -0.13   0.14   0.00
     6   6     0.00  -0.02  -0.10     0.05  -0.07   0.08    -0.12  -0.00  -0.00
     7   6    -0.01  -0.02  -0.10     0.04   0.02   0.02     0.16  -0.06  -0.01
     8   1    -0.03  -0.08  -0.44    -0.07  -0.01  -0.08    -0.11   0.13   0.01
     9   1     0.01   0.00  -0.03     0.09  -0.03  -0.20    -0.11   0.15   0.00
    10   1    -0.01  -0.08  -0.41     0.06  -0.08   0.09    -0.06  -0.04  -0.02
    11   6     0.00  -0.00   0.00    -0.05   0.09   0.12    -0.03  -0.04  -0.03
    12   6    -0.00  -0.00   0.01    -0.05   0.01   0.20     0.00  -0.00  -0.03
    13   6     0.00  -0.00   0.00     0.02   0.10  -0.06     0.04  -0.05   0.01
    14   1    -0.00  -0.01   0.00    -0.03   0.14   0.25    -0.13  -0.09  -0.09
    15   1     0.00   0.00   0.01    -0.02   0.02   0.20     0.00   0.00  -0.02
    16   1    -0.00   0.00   0.00    -0.05   0.01   0.24     0.01   0.02   0.01
    17   1    -0.00   0.00   0.00    -0.04   0.03   0.18     0.04   0.00  -0.06
    18   8    -0.00   0.00  -0.00     0.08   0.00  -0.06     0.00   0.03   0.05
    19   8    -0.00  -0.01   0.00    -0.05  -0.15  -0.10     0.00   0.07  -0.03
    20   1    -0.03   0.06  -0.02    -0.19   0.13  -0.44     0.30  -0.51   0.25
    21   6     0.00   0.01   0.05     0.03   0.14  -0.03     0.16   0.02  -0.01
    22   6     0.00   0.02   0.07     0.04   0.08  -0.09     0.06   0.04   0.00
    23   6    -0.01  -0.02  -0.12     0.04   0.09  -0.05    -0.03   0.02   0.00
    24   8    -0.01   0.00  -0.01     0.02  -0.10   0.04     0.06  -0.12   0.01
    25   6    -0.00  -0.00   0.00    -0.10  -0.06   0.02    -0.09  -0.07   0.02
    26   1    -0.03  -0.09  -0.45     0.16  -0.02   0.10     0.26  -0.12  -0.03
    27   1    -0.00  -0.01  -0.12     0.09   0.19   0.03     0.25   0.07  -0.05
    28   1    -0.04  -0.08  -0.49    -0.07   0.15  -0.03    -0.11   0.05  -0.02
    29   1    -0.01   0.03   0.02    -0.22  -0.09   0.04    -0.20  -0.10   0.04
    30   1    -0.01  -0.02  -0.04    -0.06   0.10  -0.03    -0.04   0.12  -0.02
    31   1     0.02  -0.02   0.03    -0.18  -0.08   0.03    -0.21  -0.10   0.03
                     22                     23                     24
                      A                      A                      A
 Frequencies --    540.3178               578.2447               604.1917
 Red. masses --      2.9527                 1.7093                 2.7736
 Frc consts  --      0.5079                 0.3367                 0.5965
 IR Inten    --     11.6925                42.3043                 2.1626
 RamAct Fr= 1--     15.9393                 1.7139                 2.8750
  Dep-P Fr= 1--      0.2588                 0.2864                 0.4993
  Dep-U Fr= 1--      0.4112                 0.4453                 0.6660
 Alpha2 Fr= 1--      0.1843                 0.0183                 0.0142
 Beta2  Fr= 1--      1.0925                 0.1272                 0.3191
 AlphaG Fr= 1--     -0.4498                 0.2005                -0.0242
 Gamma2 Fr= 1--      2.4851                 1.4150                -0.3857
 Delta2 Fr= 1--      0.4081                 0.2746                 0.1080
 Raman1 Fr= 1--      63.757                  6.856                 11.500
 ROA1   Fr= 1--     251.626                144.631                -33.571
 CID1   Fr= 1--       3.947                 21.097                 -2.919
 Raman2 Fr= 1--      13.109                  1.526                  3.830
 ROA2   Fr= 1--      56.377                 31.764                -10.120
 CID2   Fr= 1--       4.301                 20.811                 -2.643
 Raman3 Fr= 1--      26.219                  3.053                  7.659
 ROA3   Fr= 1--     251.626                144.631                -33.571
 CID3   Fr= 1--       9.597                 47.378                 -4.383
 RC180  Fr= 1--      -0.178                 -0.109                  0.332
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.11  -0.03  -0.01    -0.05  -0.01   0.01     0.02   0.02   0.09
     2   6    -0.05   0.06  -0.00    -0.03  -0.04  -0.02     0.01  -0.03  -0.16
     3   6     0.10   0.03  -0.01    -0.04   0.02   0.02     0.01   0.01   0.00
     4   6     0.03   0.02  -0.00     0.00   0.02  -0.04    -0.03  -0.03  -0.19
     5   6    -0.09   0.08  -0.02    -0.01   0.03  -0.00     0.01  -0.01   0.01
     6   6    -0.09   0.09  -0.00    -0.00  -0.02   0.00     0.01  -0.01  -0.00
     7   6     0.12  -0.09   0.01    -0.02   0.02  -0.00     0.00  -0.00   0.06
     8   1     0.08   0.04  -0.03    -0.08   0.04   0.02     0.04   0.04   0.21
     9   1    -0.15   0.05  -0.01     0.01   0.06   0.06     0.05   0.07   0.38
    10   1    -0.08   0.09   0.02     0.04  -0.03   0.06     0.02   0.06   0.36
    11   6     0.00   0.06   0.03     0.04  -0.12  -0.02    -0.02   0.00   0.03
    12   6    -0.01   0.01   0.03     0.00  -0.01  -0.03    -0.04  -0.00   0.09
    13   6    -0.04   0.08  -0.02     0.05  -0.08   0.03     0.00   0.05  -0.02
    14   1     0.06   0.10   0.11    -0.05  -0.16  -0.06    -0.03   0.02   0.11
    15   1     0.01   0.01   0.01    -0.07   0.01   0.09    -0.08   0.00   0.14
    16   1    -0.01  -0.01   0.03     0.00   0.06  -0.09    -0.05   0.02   0.04
    17   1    -0.02  -0.00   0.06     0.01   0.04  -0.09    -0.07   0.02   0.07
    18   8     0.01  -0.02  -0.05    -0.04   0.06   0.03     0.04   0.01   0.01
    19   8     0.00  -0.09   0.03     0.05  -0.00   0.03     0.01  -0.02  -0.03
    20   1    -0.37   0.64  -0.33    -0.36   0.80  -0.24     0.06  -0.12  -0.02
    21   6     0.12  -0.15   0.02    -0.02   0.06  -0.01    -0.01  -0.02  -0.05
    22   6    -0.06  -0.05   0.00     0.04   0.03   0.02     0.01   0.04   0.24
    23   6    -0.06  -0.05   0.01    -0.01   0.00   0.00     0.01   0.00  -0.02
    24   8    -0.07   0.05  -0.00     0.06  -0.05  -0.00    -0.02   0.00  -0.05
    25   6     0.01  -0.02   0.00    -0.01  -0.00  -0.00    -0.00  -0.00  -0.00
    26   1     0.06  -0.06   0.03     0.03  -0.01  -0.03    -0.03  -0.05  -0.25
    27   1     0.19  -0.10   0.02    -0.04   0.04  -0.05    -0.03  -0.10  -0.53
    28   1     0.04  -0.10   0.03    -0.07   0.04  -0.01     0.01  -0.05  -0.26
    29   1     0.08   0.00  -0.01    -0.06  -0.02   0.01     0.04   0.03  -0.00
    30   1    -0.02  -0.13   0.02     0.02   0.09  -0.01    -0.01  -0.02   0.02
    31   1     0.08   0.01  -0.01    -0.07  -0.02   0.01    -0.01  -0.02   0.01
                     25                     26                     27
                      A                      A                      A
 Frequencies --    636.0611               688.6525               694.7396
 Red. masses --      5.3781                 5.2760                 3.7411
 Frc consts  --      1.2820                 1.4742                 1.0639
 IR Inten    --      2.4628                 4.1390                10.8455
 RamAct Fr= 1--      0.7642                 2.2534                 0.2319
  Dep-P Fr= 1--      0.6992                 0.1557                 0.3074
  Dep-U Fr= 1--      0.8229                 0.2695                 0.4702
 Alpha2 Fr= 1--      0.0007                 0.0343                 0.0023
 Beta2  Fr= 1--      0.1048                 0.1012                 0.0182
 AlphaG Fr= 1--      0.0140                -0.1389                -0.0167
 Gamma2 Fr= 1--      0.4426                -0.9787                -0.1138
 Delta2 Fr= 1--      0.1633                -0.0925                 0.0226
 Raman1 Fr= 1--       3.057                  9.014                  0.928
 ROA1   Fr= 1--      47.714                -96.916                -10.197
 CID1   Fr= 1--      15.609                -10.752                -10.992
 Raman2 Fr= 1--       1.258                  1.214                  0.218
 ROA2   Fr= 1--       9.316                -22.749                 -2.911
 CID2   Fr= 1--       7.406                -18.732                -13.347
 Raman3 Fr= 1--       2.516                  2.429                  0.436
 ROA3   Fr= 1--      47.714                -96.916                -10.197
 CID3   Fr= 1--      18.967                -39.902                -23.377
 RC180  Fr= 1--       0.646                 -0.461                 -0.060
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.12  -0.01   0.02    -0.06   0.05   0.06    -0.03   0.01  -0.11
     2   6    -0.18   0.03  -0.01    -0.05   0.04   0.02    -0.01   0.01  -0.03
     3   6    -0.10  -0.17   0.02    -0.09  -0.09   0.08    -0.06  -0.05  -0.05
     4   6     0.15  -0.05  -0.01    -0.03  -0.06  -0.16    -0.01   0.03   0.25
     5   6     0.06   0.06  -0.03     0.16  -0.01   0.06     0.06  -0.04  -0.08
     6   6     0.03   0.21  -0.03     0.14   0.12  -0.11     0.08   0.07   0.09
     7   6     0.04   0.13  -0.00     0.13   0.14  -0.13     0.09   0.10   0.10
     8   1    -0.18  -0.12   0.06    -0.08  -0.08   0.17    -0.05  -0.10  -0.24
     9   1    -0.13  -0.05   0.05     0.14   0.01   0.28     0.04  -0.11  -0.46
    10   1     0.11   0.18   0.03     0.17   0.12  -0.07     0.07   0.05  -0.01
    11   6     0.20   0.08   0.06    -0.12  -0.06  -0.03    -0.08  -0.00  -0.03
    12   6     0.03   0.01  -0.03    -0.06  -0.02   0.11     0.00   0.00  -0.03
    13   6    -0.00   0.05   0.08    -0.07   0.00  -0.11    -0.01  -0.07  -0.03
    14   1     0.29   0.11   0.08    -0.15  -0.04   0.06    -0.10  -0.03  -0.11
    15   1    -0.10  -0.05  -0.06    -0.02   0.03   0.21     0.13   0.02  -0.10
    16   1     0.01  -0.02  -0.34    -0.05   0.02   0.24     0.02  -0.03   0.20
    17   1    -0.17  -0.07   0.18     0.03   0.07  -0.05     0.13  -0.01  -0.09
    18   8     0.01  -0.08  -0.16    -0.03   0.02   0.14    -0.05   0.02   0.06
    19   8    -0.12  -0.03   0.09     0.12   0.01  -0.10     0.05   0.02  -0.05
    20   1    -0.01  -0.25  -0.03     0.08   0.10   0.14    -0.00   0.13   0.06
    21   6     0.05   0.06  -0.03     0.15  -0.00   0.06     0.07  -0.03  -0.10
    22   6     0.06  -0.00   0.05    -0.02  -0.06  -0.14     0.00   0.02   0.20
    23   6    -0.16  -0.10   0.02    -0.10  -0.09   0.07    -0.04  -0.06  -0.05
    24   8     0.10  -0.09  -0.00    -0.07   0.04   0.02    -0.05   0.02  -0.03
    25   6     0.00  -0.02   0.00    -0.04  -0.05   0.01    -0.02  -0.03   0.00
    26   1     0.10   0.09  -0.06     0.16   0.13  -0.10     0.09   0.10   0.09
    27   1    -0.05  -0.02  -0.12     0.12   0.02   0.31     0.03  -0.10  -0.40
    28   1    -0.24  -0.07  -0.05    -0.06  -0.07   0.26    -0.03  -0.12  -0.30
    29   1    -0.09  -0.04   0.02     0.01  -0.05   0.00     0.03   0.00   0.00
    30   1     0.04   0.14  -0.03    -0.06  -0.13   0.03    -0.04  -0.09   0.02
    31   1    -0.10  -0.05   0.01     0.03  -0.02  -0.00     0.01  -0.03   0.01
                     28                     29                     30
                      A                      A                      A
 Frequencies --    739.1923               778.3293               785.0927
 Red. masses --      5.4954                 3.5966                 2.7592
 Frc consts  --      1.7691                 1.2837                 1.0020
 IR Inten    --      5.1013                 0.8418                 0.3794
 RamAct Fr= 1--     19.5512                42.6862                16.7439
  Dep-P Fr= 1--      0.0504                 0.0778                 0.0913
  Dep-U Fr= 1--      0.0960                 0.1444                 0.1673
 Alpha2 Fr= 1--      0.3858                 0.7887                 0.2995
 Beta2  Fr= 1--      0.3127                 1.0276                 0.4667
 AlphaG Fr= 1--     -0.1963                 0.2065                -0.2125
 Gamma2 Fr= 1--     -2.5867                 2.8615                -0.4642
 Delta2 Fr= 1--     -0.1233                 0.8123                 0.1717
 Raman1 Fr= 1--      78.205                170.745                 66.975
 ROA1   Fr= 1--    -252.272                300.695                -39.067
 CID1   Fr= 1--      -3.226                  1.761                 -0.583
 Raman2 Fr= 1--       3.752                 12.331                  5.601
 ROA2   Fr= 1--     -61.095                 62.177                -12.514
 CID2   Fr= 1--     -16.283                  5.042                 -2.234
 Raman3 Fr= 1--       7.504                 24.663                 11.202
 ROA3   Fr= 1--    -252.272                300.695                -39.067
 CID3   Fr= 1--     -33.617                 12.192                 -3.488
 RC180  Fr= 1--      -0.808                 -0.711                 -0.665
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.01   0.10   0.03    -0.01  -0.05   0.15     0.03   0.07   0.17
     2   6     0.05  -0.03  -0.01     0.01   0.07  -0.15    -0.03  -0.09  -0.18
     3   6    -0.06   0.06  -0.01    -0.07  -0.11  -0.00     0.05   0.05  -0.05
     4   6    -0.12   0.01  -0.05    -0.01  -0.01   0.06     0.03   0.03   0.11
     5   6     0.01  -0.11   0.01     0.03  -0.02  -0.07    -0.02  -0.00  -0.07
     6   6    -0.00  -0.15   0.01     0.05   0.19  -0.01    -0.02  -0.09   0.09
     7   6     0.13   0.19  -0.07    -0.04  -0.19   0.01     0.01   0.09  -0.04
     8   1     0.01   0.03   0.04    -0.11  -0.14  -0.21     0.04  -0.02  -0.39
     9   1     0.14  -0.00   0.15    -0.08  -0.06   0.07     0.03   0.02  -0.12
    10   1    -0.06  -0.09   0.14    -0.01   0.28   0.20     0.03  -0.09   0.20
    11   6    -0.05   0.08   0.00    -0.09   0.08  -0.02     0.05  -0.03   0.01
    12   6     0.01   0.01  -0.05    -0.03   0.01   0.02     0.02  -0.00  -0.02
    13   6     0.24  -0.13   0.20     0.09  -0.12   0.06    -0.06   0.05  -0.04
    14   1    -0.23  -0.08  -0.28    -0.17  -0.02  -0.23     0.12   0.02   0.10
    15   1     0.08  -0.05  -0.28     0.13  -0.02  -0.23    -0.03   0.01   0.07
    16   1     0.01  -0.09   0.01    -0.02  -0.11   0.23     0.02   0.05  -0.09
    17   1     0.02  -0.12   0.09     0.06  -0.10   0.10    -0.01   0.04  -0.05
    18   8     0.06   0.09  -0.15    -0.01   0.04  -0.02    -0.01  -0.03   0.02
    19   8    -0.14   0.01   0.10    -0.02   0.02  -0.02     0.02  -0.01  -0.01
    20   1    -0.13  -0.02  -0.33    -0.02   0.03  -0.07     0.03  -0.03   0.08
    21   6     0.13  -0.03   0.02    -0.01  -0.03   0.08     0.01   0.05   0.09
    22   6    -0.01  -0.05  -0.03    -0.02   0.01  -0.06     0.00  -0.02  -0.06
    23   6     0.01  -0.08   0.03     0.07   0.10  -0.02    -0.05  -0.06   0.00
    24   8    -0.12   0.08  -0.00     0.03  -0.02   0.00    -0.01   0.01  -0.00
    25   6    -0.05  -0.05   0.01     0.02   0.02  -0.00    -0.01  -0.01   0.00
    26   1     0.10   0.19  -0.11    -0.02  -0.26  -0.22    -0.03   0.04  -0.38
    27   1     0.05  -0.07   0.06     0.11   0.02  -0.09    -0.08  -0.04  -0.16
    28   1     0.08  -0.10   0.10     0.16   0.14   0.36    -0.04   0.08   0.61
    29   1     0.05  -0.02  -0.00    -0.01   0.01  -0.00     0.01  -0.01  -0.00
    30   1    -0.10  -0.22   0.05     0.03   0.08  -0.00    -0.01  -0.02   0.03
    31   1     0.06  -0.01  -0.00    -0.02   0.02  -0.01     0.00   0.00  -0.01
                     31                     32                     33
                      A                      A                      A
 Frequencies --    820.4058               833.7445               840.2338
 Red. masses --      1.4953                 1.6597                 2.6882
 Frc consts  --      0.5930                 0.6797                 1.1182
 IR Inten    --      9.0106                12.6070                11.6499
 RamAct Fr= 1--      1.0287                 0.2426                 2.3862
  Dep-P Fr= 1--      0.3177                 0.7276                 0.7254
  Dep-U Fr= 1--      0.4822                 0.8423                 0.8409
 Alpha2 Fr= 1--      0.0100                 0.0001                 0.0010
 Beta2  Fr= 1--      0.0827                 0.0341                 0.3344
 AlphaG Fr= 1--     -0.0607                -0.0091                 0.0035
 Gamma2 Fr= 1--     -0.4022                 0.2370                 1.3582
 Delta2 Fr= 1--     -0.3749                -0.0976                 0.8935
 Raman1 Fr= 1--       4.115                  0.971                  9.545
 ROA1   Fr= 1--     -50.613                 19.629                158.979
 CID1   Fr= 1--     -12.300                 20.224                 16.656
 Raman2 Fr= 1--       0.992                  0.409                  4.013
 ROA2   Fr= 1--      -6.655                  6.469                 25.449
 CID2   Fr= 1--      -6.707                 15.826                  6.342
 Raman3 Fr= 1--       1.984                  0.818                  8.026
 ROA3   Fr= 1--     -50.613                 19.629                158.979
 CID3   Fr= 1--     -25.507                 24.010                 19.808
 RC180  Fr= 1--      -0.036                  0.685                  0.682
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.01   0.01   0.02    -0.00   0.01   0.10     0.05   0.02   0.02
     2   6    -0.01  -0.01   0.03     0.01  -0.01  -0.07    -0.05  -0.03  -0.01
     3   6     0.03   0.01  -0.02    -0.02   0.00   0.03     0.11   0.02   0.00
     4   6     0.02   0.01   0.08    -0.01   0.00  -0.00     0.04  -0.02  -0.08
     5   6    -0.01  -0.02  -0.09     0.00   0.00  -0.02    -0.00  -0.01   0.04
     6   6    -0.02  -0.04  -0.08     0.01   0.02   0.02    -0.03  -0.04   0.05
     7   6    -0.01   0.01  -0.02    -0.00  -0.03  -0.10    -0.02   0.02  -0.04
     8   1     0.04  -0.01  -0.09    -0.06  -0.07  -0.37     0.18  -0.02  -0.02
     9   1     0.03   0.09   0.50     0.00  -0.00  -0.05    -0.02  -0.05  -0.17
    10   1     0.05   0.08   0.62     0.00   0.02   0.01    -0.01  -0.12  -0.29
    11   6     0.02   0.04   0.02    -0.01  -0.05  -0.01     0.02   0.17   0.01
    12   6     0.00   0.01  -0.00    -0.00  -0.01  -0.01    -0.02   0.05   0.09
    13   6    -0.01  -0.04  -0.01    -0.00   0.05  -0.00     0.02  -0.15   0.02
    14   1     0.05   0.03  -0.05    -0.02  -0.03   0.05     0.05   0.10  -0.21
    15   1     0.03  -0.01  -0.10    -0.02   0.02   0.09     0.05  -0.08  -0.31
    16   1     0.00  -0.04   0.01     0.00   0.05   0.00    -0.03  -0.18   0.04
    17   1    -0.01  -0.05   0.08     0.03   0.05  -0.11    -0.14  -0.21   0.46
    18   8    -0.04  -0.01   0.02     0.03   0.00  -0.01    -0.08   0.00   0.03
    19   8     0.02   0.00  -0.04    -0.02  -0.00   0.03     0.05   0.02  -0.10
    20   1     0.01   0.02   0.04     0.00  -0.05  -0.02     0.01   0.11   0.03
    21   6    -0.01   0.01  -0.02    -0.00  -0.02  -0.10    -0.04   0.02  -0.04
    22   6    -0.00  -0.01  -0.04     0.01   0.02   0.10    -0.00   0.02   0.07
    23   6    -0.02   0.00   0.07     0.02   0.00  -0.01    -0.09  -0.04  -0.04
    24   8     0.01  -0.00   0.01    -0.01   0.00  -0.02     0.03  -0.03  -0.01
    25   6     0.00   0.00   0.00    -0.00  -0.00  -0.00     0.02   0.01  -0.00
    26   1    -0.01   0.04   0.09     0.05   0.09   0.59    -0.05   0.10   0.23
    27   1    -0.01   0.03   0.17     0.06   0.11   0.62    -0.05   0.05   0.22
    28   1    -0.07  -0.08  -0.45     0.03  -0.00  -0.00    -0.14   0.05   0.25
    29   1    -0.01   0.00   0.00     0.01   0.00  -0.00    -0.01   0.00  -0.00
    30   1     0.00   0.01  -0.02    -0.01  -0.01   0.01     0.03   0.06  -0.00
    31   1     0.00  -0.00   0.00    -0.00  -0.00  -0.00    -0.02  -0.00  -0.00
                     34                     35                     36
                      A                      A                      A
 Frequencies --    866.1396               881.1327               927.3481
 Red. masses --      3.1796                 1.8218                 1.5404
 Frc consts  --      1.4054                 0.8334                 0.7805
 IR Inten    --      5.7850                37.4327                10.5803
 RamAct Fr= 1--     24.4615                 2.1107                 1.0086
  Dep-P Fr= 1--      0.1117                 0.6274                 0.3035
  Dep-U Fr= 1--      0.2010                 0.7711                 0.4657
 Alpha2 Fr= 1--      0.4161                 0.0047                 0.0102
 Beta2  Fr= 1--      0.8195                 0.2713                 0.0783
 AlphaG Fr= 1--      0.2263                 0.0943                 0.0812
 Gamma2 Fr= 1--      0.1713                -0.4135                 0.3283
 Delta2 Fr= 1--     -0.8180                -0.2441                -0.0056
 Raman1 Fr= 1--      97.846                  8.443                  4.034
 ROA1   Fr= 1--      -9.731                -47.506                 31.340
 CID1   Fr= 1--      -0.099                 -5.627                  7.769
 Raman2 Fr= 1--       9.834                  3.255                  0.939
 ROA2   Fr= 1--      10.655                 -7.971                  7.925
 CID2   Fr= 1--       1.084                 -2.449                  8.437
 Raman3 Fr= 1--      19.667                  6.510                  1.879
 ROA3   Fr= 1--      -9.731                -47.506                 31.340
 CID3   Fr= 1--      -0.495                 -7.297                 16.683
 RC180  Fr= 1--      -0.598                  0.542                 -0.069
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.09  -0.01   0.02    -0.00  -0.01  -0.04     0.01   0.02   0.08
     2   6     0.09   0.03  -0.01     0.01   0.02   0.14    -0.01  -0.00  -0.03
     3   6    -0.18  -0.04   0.01     0.01   0.00  -0.00    -0.01  -0.02  -0.17
     4   6    -0.01   0.04  -0.01    -0.00   0.00   0.03    -0.00   0.01   0.07
     5   6    -0.06   0.01   0.00    -0.00  -0.01  -0.06     0.01  -0.02  -0.01
     6   6    -0.05  -0.03   0.01     0.00  -0.01  -0.07     0.01   0.01   0.03
     7   6     0.03   0.01  -0.01    -0.00   0.00   0.01    -0.00  -0.01  -0.01
     8   1    -0.34   0.05   0.07     0.01   0.01   0.07     0.06   0.17   0.88
     9   1    -0.07   0.01   0.03     0.04   0.08   0.44     0.01  -0.01   0.03
    10   1    -0.17   0.03  -0.03     0.03   0.05   0.25    -0.01  -0.01  -0.12
    11   6     0.17   0.06   0.07    -0.01  -0.01   0.00    -0.01  -0.00   0.02
    12   6     0.08   0.02   0.00    -0.00  -0.00  -0.02     0.01  -0.00  -0.03
    13   6    -0.05  -0.06  -0.02    -0.00   0.01  -0.00    -0.00  -0.00  -0.01
    14   1     0.15   0.08   0.16    -0.01  -0.01   0.00    -0.00   0.01   0.05
    15   1    -0.18  -0.06   0.03     0.02   0.01   0.00     0.01   0.01   0.00
    16   1     0.05   0.04  -0.49     0.00   0.01   0.03     0.01   0.01   0.01
    17   1    -0.23  -0.04   0.27     0.03   0.02  -0.06     0.04   0.02  -0.08
    18   8    -0.08  -0.04   0.03     0.01   0.00  -0.00    -0.00  -0.00   0.00
    19   8     0.05  -0.00  -0.08    -0.00  -0.00   0.01     0.00  -0.00   0.00
    20   1     0.02   0.08   0.09     0.00  -0.01  -0.00    -0.01   0.03  -0.00
    21   6     0.05  -0.05  -0.00    -0.00  -0.00  -0.02    -0.00  -0.01  -0.04
    22   6     0.03  -0.03   0.02     0.01   0.02   0.09    -0.00   0.01   0.01
    23   6     0.18   0.04  -0.04    -0.02  -0.03  -0.18    -0.01   0.00   0.01
    24   8    -0.06   0.06  -0.01     0.00  -0.01  -0.02     0.00  -0.01  -0.00
    25   6    -0.04  -0.03   0.01     0.00   0.00  -0.00     0.00   0.00  -0.00
    26   1     0.11  -0.02   0.04     0.00   0.01   0.05    -0.01  -0.02  -0.07
    27   1     0.05  -0.05   0.06     0.00   0.01   0.01     0.04   0.06   0.33
    28   1     0.35  -0.01   0.09     0.04   0.14   0.79    -0.02   0.01   0.01
    29   1     0.04  -0.00  -0.01    -0.00  -0.01  -0.00    -0.00   0.00   0.00
    30   1    -0.08  -0.15   0.04     0.01   0.01   0.03     0.01   0.01  -0.00
    31   1     0.04   0.00   0.00    -0.00   0.00  -0.01    -0.00  -0.00  -0.00
                     37                     38                     39
                      A                      A                      A
 Frequencies --    947.9456               961.4682               969.3010
 Red. masses --      3.5160                 1.3108                 1.3281
 Frc consts  --      1.8615                 0.7139                 0.7352
 IR Inten    --     24.0741                 0.5705                 0.6349
 RamAct Fr= 1--      0.9121                 1.7688                 0.6748
  Dep-P Fr= 1--      0.7366                 0.7393                 0.6702
  Dep-U Fr= 1--      0.8483                 0.8501                 0.8025
 Alpha2 Fr= 1--      0.0002                 0.0003                 0.0010
 Beta2  Fr= 1--      0.1290                 0.2506                 0.0902
 AlphaG Fr= 1--      0.0080                 0.0181                -0.0421
 Gamma2 Fr= 1--      1.4149                 0.2082                -0.6092
 Delta2 Fr= 1--     -1.6348                -0.1092                 0.2027
 Raman1 Fr= 1--       3.648                  7.075                  2.699
 ROA1   Fr= 1--      83.518                 16.490                -51.998
 CID1   Fr= 1--      22.891                  2.331                -19.265
 Raman2 Fr= 1--       1.548                  3.007                  1.083
 ROA2   Fr= 1--      47.036                  5.869                -16.242
 CID2   Fr= 1--      30.394                  1.951                -14.997
 Raman3 Fr= 1--       3.095                  6.015                  2.166
 ROA3   Fr= 1--      83.518                 16.490                -51.998
 CID3   Fr= 1--      26.984                  2.741                -24.007
 RC180  Fr= 1--       0.697                  0.700                  0.605
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.02  -0.06   0.02    -0.00  -0.00  -0.01     0.00   0.00   0.03
     2   6     0.06  -0.06   0.01    -0.00  -0.00  -0.01     0.00   0.00   0.01
     3   6     0.03  -0.17   0.00     0.00   0.00   0.01    -0.00  -0.01  -0.05
     4   6     0.11  -0.03   0.00    -0.00   0.00   0.01     0.00   0.00   0.01
     5   6    -0.11   0.23  -0.04    -0.01  -0.02  -0.11     0.00   0.01   0.03
     6   6    -0.04  -0.00   0.01     0.01   0.02   0.11    -0.00  -0.00  -0.03
     7   6    -0.02   0.06  -0.00    -0.00  -0.01  -0.02    -0.01  -0.02  -0.12
     8   1     0.03  -0.14   0.17    -0.00  -0.01  -0.05     0.02   0.04   0.21
     9   1    -0.19   0.19  -0.00     0.04   0.12   0.68    -0.02  -0.03  -0.15
    10   1     0.16  -0.10  -0.02    -0.04  -0.12  -0.64     0.01   0.03   0.16
    11   6    -0.03  -0.02  -0.07    -0.00  -0.00   0.01    -0.00   0.00   0.00
    12   6    -0.08   0.01   0.05     0.00  -0.00  -0.01     0.00   0.00  -0.00
    13   6     0.00   0.02  -0.00    -0.00   0.00  -0.00     0.00  -0.00  -0.00
    14   1     0.08  -0.03  -0.27    -0.00  -0.00  -0.00     0.00   0.00   0.01
    15   1     0.18   0.02  -0.16     0.01   0.00  -0.00     0.00   0.00  -0.00
    16   1    -0.06  -0.14   0.44     0.00   0.00   0.01     0.00  -0.00   0.01
    17   1     0.12  -0.08   0.02     0.01   0.00  -0.02     0.01   0.00  -0.01
    18   8     0.02   0.01  -0.00     0.00  -0.00   0.00    -0.00  -0.00   0.00
    19   8    -0.01   0.00   0.02    -0.00  -0.00   0.00     0.00  -0.00   0.00
    20   1    -0.01   0.00   0.00     0.00  -0.01   0.00    -0.00   0.01  -0.00
    21   6    -0.07   0.15  -0.03     0.00   0.01   0.03     0.00   0.02   0.10
    22   6     0.07  -0.05   0.01    -0.00  -0.00  -0.01     0.00  -0.00  -0.01
    23   6     0.13  -0.11   0.01     0.00   0.00   0.02     0.00  -0.01  -0.01
    24   8    -0.06   0.08  -0.01     0.00   0.00   0.00    -0.00   0.00   0.00
    25   6    -0.06  -0.04   0.01    -0.00  -0.00   0.00    -0.00  -0.00   0.00
    26   1     0.14  -0.03  -0.05     0.01   0.03   0.16     0.06   0.12   0.70
    27   1    -0.20   0.08   0.07    -0.01  -0.03  -0.19    -0.04  -0.10  -0.59
    28   1     0.27  -0.18   0.02    -0.01  -0.02  -0.07     0.01  -0.01   0.02
    29   1     0.06  -0.00  -0.01     0.00   0.00   0.00     0.00  -0.00   0.00
    30   1    -0.11  -0.21   0.05    -0.00  -0.00  -0.00    -0.00  -0.01   0.00
    31   1     0.06  -0.00   0.00    -0.00  -0.00   0.00     0.00   0.00   0.00
                     40                     41                     42
                      A                      A                      A
 Frequencies --    982.2348              1029.0133              1061.6700
 Red. masses --      3.5082                 2.1282                 4.7249
 Frc consts  --      1.9942                 1.3277                 3.1378
 IR Inten    --      0.9567                 3.4775                54.5933
 RamAct Fr= 1--     15.9819                 4.1276                 2.8786
  Dep-P Fr= 1--      0.1119                 0.4060                 0.1981
  Dep-U Fr= 1--      0.2013                 0.5775                 0.3307
 Alpha2 Fr= 1--      0.2718                 0.0299                 0.0393
 Beta2  Fr= 1--      0.5361                 0.3973                 0.1586
 AlphaG Fr= 1--     -0.1570                 0.1124                 0.0113
 Gamma2 Fr= 1--     -0.2715                -0.6236                 0.3778
 Delta2 Fr= 1--      0.2987                -1.4515                 0.0350
 Raman1 Fr= 1--      63.928                 16.510                 11.514
 ROA1   Fr= 1--     -16.503               -106.308                 37.385
 CID1   Fr= 1--      -0.258                 -6.439                  3.247
 Raman2 Fr= 1--       6.433                  4.767                  1.904
 ROA2   Fr= 1--      -8.904                 -3.354                  8.787
 CID2   Fr= 1--      -1.384                 -0.704                  4.615
 Raman3 Fr= 1--      12.866                  9.534                  3.808
 ROA3   Fr= 1--     -16.503               -106.308                 37.385
 CID3   Fr= 1--      -1.283                -11.150                  9.819
 RC180  Fr= 1--      -0.597                  0.155                 -0.339
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.01  -0.04   0.00     0.05  -0.00  -0.00    -0.01   0.01  -0.00
     2   6     0.03   0.02  -0.01     0.00  -0.02   0.00    -0.05  -0.03   0.01
     3   6     0.05   0.14  -0.02     0.04  -0.11   0.03     0.03   0.02  -0.00
     4   6    -0.07  -0.00  -0.00    -0.02  -0.02  -0.02     0.00  -0.01  -0.00
     5   6     0.00  -0.14   0.03    -0.03   0.09  -0.01     0.01  -0.02   0.00
     6   6     0.02   0.13  -0.02     0.02  -0.01   0.00     0.01   0.03  -0.01
     7   6    -0.02  -0.12   0.03     0.00   0.02  -0.00    -0.08  -0.04   0.01
     8   1     0.06   0.12  -0.09     0.23  -0.23  -0.04     0.10  -0.01  -0.02
     9   1    -0.11  -0.21   0.03     0.00   0.11  -0.05    -0.07  -0.06   0.01
    10   1    -0.23   0.26  -0.03     0.19  -0.10   0.00     0.06   0.01  -0.01
    11   6    -0.01   0.02   0.05    -0.11   0.09   0.13    -0.02   0.01   0.02
    12   6     0.05   0.00  -0.04     0.06  -0.04  -0.12    -0.00  -0.00  -0.02
    13   6     0.00  -0.01   0.01     0.03  -0.06   0.06     0.00  -0.01   0.01
    14   1    -0.05   0.03   0.15    -0.34   0.13   0.53    -0.01   0.03   0.06
    15   1    -0.08  -0.01   0.04    -0.10   0.04   0.22     0.01   0.01   0.01
    16   1     0.03   0.06  -0.23     0.06   0.21  -0.27     0.00   0.02   0.01
    17   1    -0.06   0.03  -0.00    -0.00   0.17  -0.33     0.02   0.02  -0.06
    18   8    -0.01  -0.00   0.00    -0.02   0.01   0.00    -0.00  -0.00   0.00
    19   8     0.01  -0.00  -0.02     0.01  -0.00  -0.05     0.00   0.00  -0.01
    20   1     0.01  -0.01  -0.02     0.02  -0.00  -0.06     0.01  -0.01  -0.02
    21   6    -0.05   0.25  -0.05    -0.03   0.01  -0.00     0.01  -0.11   0.02
    22   6     0.07  -0.03   0.00    -0.01  -0.00   0.00     0.19   0.07  -0.03
    23   6    -0.01  -0.24   0.04     0.00  -0.00   0.00    -0.02   0.05  -0.01
    24   8    -0.02   0.06  -0.01    -0.01  -0.01   0.00     0.15   0.27  -0.06
    25   6    -0.05  -0.04   0.01     0.01   0.01  -0.00    -0.17  -0.30   0.07
    26   1     0.33  -0.31  -0.00    -0.04   0.04  -0.01    -0.32   0.08   0.01
    27   1     0.08   0.34  -0.04    -0.06  -0.00   0.01    -0.26  -0.30   0.07
    28   1     0.12  -0.31   0.05     0.00  -0.00  -0.00    -0.39   0.25  -0.02
    29   1     0.04  -0.01  -0.00     0.01   0.01  -0.00    -0.15  -0.21   0.08
    30   1    -0.08  -0.15   0.03     0.01   0.01  -0.00    -0.12  -0.14   0.03
    31   1     0.04  -0.01   0.00     0.01   0.01  -0.00    -0.16  -0.22   0.02
                     43                     44                     45
                      A                      A                      A
 Frequencies --   1091.5827              1098.9056              1151.7242
 Red. masses --      2.1733                 1.9279                 1.4455
 Frc consts  --      1.5258                 1.3717                 1.1297
 IR Inten    --      3.2902                19.0391                14.8392
 RamAct Fr= 1--      2.1768                12.1547                 1.6735
  Dep-P Fr= 1--      0.7149                 0.1928                 0.6735
  Dep-U Fr= 1--      0.8337                 0.3233                 0.8049
 Alpha2 Fr= 1--      0.0013                 0.1682                 0.0023
 Beta2  Fr= 1--      0.3025                 0.6549                 0.2245
 AlphaG Fr= 1--      0.0032                -0.2193                 0.0021
 Gamma2 Fr= 1--     -0.0122                -1.7084                 0.1122
 Delta2 Fr= 1--      0.4549                 1.8677                -0.0885
 Raman1 Fr= 1--       8.707                 48.619                  6.694
 ROA1   Fr= 1--      13.385               -104.242                  7.942
 CID1   Fr= 1--       1.537                 -2.144                  1.186
 Raman2 Fr= 1--       3.630                  7.859                  2.694
 ROA2   Fr= 1--      -3.933                -55.944                  3.401
 CID2   Fr= 1--      -1.083                 -7.119                  1.262
 Raman3 Fr= 1--       7.260                 15.718                  5.388
 ROA3   Fr= 1--      13.385               -104.242                  7.942
 CID3   Fr= 1--       1.844                 -6.632                  1.474
 RC180  Fr= 1--       0.667                 -0.353                  0.610
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.01  -0.02   0.00    -0.02  -0.01   0.00     0.01   0.08  -0.01
     2   6    -0.01   0.02  -0.00     0.00  -0.00  -0.00     0.02   0.04  -0.01
     3   6     0.01   0.00  -0.00    -0.02   0.06   0.00    -0.05  -0.04   0.01
     4   6     0.10   0.05  -0.00     0.05  -0.01  -0.06    -0.03  -0.02   0.00
     5   6     0.01  -0.06   0.01     0.01  -0.03   0.02     0.01   0.04  -0.01
     6   6    -0.05  -0.03   0.01    -0.01  -0.00   0.00    -0.02  -0.05   0.01
     7   6     0.01   0.01  -0.00     0.01   0.01  -0.00    -0.06  -0.05   0.01
     8   1    -0.16   0.10  -0.00    -0.21   0.15  -0.07     0.06  -0.10   0.01
     9   1    -0.05  -0.10   0.04    -0.03  -0.06  -0.03     0.26   0.19  -0.05
    10   1    -0.22   0.06   0.00    -0.10   0.04  -0.01    -0.06  -0.03   0.01
    11   6     0.05   0.15  -0.14     0.05  -0.01   0.16     0.04   0.01  -0.01
    12   6    -0.06  -0.14   0.06    -0.11   0.01  -0.12    -0.02  -0.01   0.00
    13   6     0.04  -0.09  -0.02    -0.01   0.01   0.09     0.00  -0.01   0.00
    14   1    -0.02   0.22   0.18     0.32   0.07   0.13     0.16   0.06   0.01
    15   1    -0.05   0.06   0.57     0.33   0.12  -0.23     0.04   0.02   0.03
    16   1    -0.04   0.23   0.25    -0.07  -0.06   0.52    -0.01   0.01   0.08
    17   1     0.09   0.20  -0.41     0.32  -0.01  -0.36     0.04   0.01  -0.06
    18   8    -0.02   0.00  -0.00    -0.04  -0.02   0.00    -0.01  -0.00  -0.00
    19   8    -0.02   0.02   0.03     0.04  -0.01  -0.06    -0.00   0.00   0.00
    20   1    -0.04   0.04   0.16     0.05  -0.04  -0.13    -0.00   0.01   0.02
    21   6    -0.01   0.00  -0.00     0.01  -0.01   0.00     0.05   0.02  -0.01
    22   6     0.00  -0.01   0.00    -0.00  -0.01   0.00    -0.04   0.00   0.00
    23   6     0.01   0.00  -0.00     0.01   0.01  -0.00    -0.03  -0.06   0.01
    24   8     0.00   0.00  -0.00    -0.01  -0.01   0.00     0.04   0.03  -0.01
    25   6    -0.00  -0.00   0.00     0.00   0.01  -0.00    -0.01  -0.04   0.01
    26   1     0.04  -0.01  -0.00     0.04  -0.00  -0.00    -0.39   0.12   0.01
    27   1    -0.07  -0.04   0.01    -0.02  -0.02   0.01     0.64   0.40  -0.12
    28   1     0.05  -0.02   0.00     0.02   0.01  -0.00     0.09  -0.12   0.02
    29   1     0.00  -0.00  -0.00     0.01   0.01  -0.00    -0.04  -0.02   0.02
    30   1    -0.01  -0.01   0.00    -0.00  -0.01   0.00     0.03   0.08  -0.02
    31   1     0.00   0.00   0.00     0.01   0.01   0.00    -0.04  -0.03  -0.00
                     46                     47                     48
                      A                      A                      A
 Frequencies --   1173.9724              1175.6043              1179.5644
 Red. masses --      1.2770                 1.8628                 1.6646
 Frc consts  --      1.0370                 1.5168                 1.3646
 IR Inten    --      0.8225                42.2800                10.3728
 RamAct Fr= 1--      0.6406                24.4318                15.8658
  Dep-P Fr= 1--      0.7498                 0.4323                 0.6061
  Dep-U Fr= 1--      0.8570                 0.6037                 0.7547
 Alpha2 Fr= 1--      0.0000                 0.1606                 0.0421
 Beta2  Fr= 1--      0.0915                 2.4581                 1.9958
 AlphaG Fr= 1--      0.0026                -0.0093                -0.0473
 Gamma2 Fr= 1--      0.0631                 4.2089                -2.5152
 Delta2 Fr= 1--      0.0164                 4.5367                -1.6441
 Raman1 Fr= 1--       2.562                 97.727                 63.463
 ROA1   Fr= 1--       6.585                549.230               -294.067
 CID1   Fr= 1--       2.570                  5.620                 -4.634
 Raman2 Fr= 1--       1.098                 29.497                 23.949
 ROA2   Fr= 1--       1.384                 64.720                -47.211
 CID2   Fr= 1--       1.261                  2.194                 -1.971
 Raman3 Fr= 1--       2.196                 58.994                 47.898
 ROA3   Fr= 1--       6.585                549.230               -294.067
 CID3   Fr= 1--       2.999                  9.310                 -6.139
 RC180  Fr= 1--       0.714                  0.207                  0.509
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00  -0.00   0.00     0.03  -0.03   0.00     0.03  -0.03   0.00
     2   6     0.00   0.00   0.00    -0.00   0.06  -0.01     0.01   0.04  -0.01
     3   6     0.00  -0.00   0.00     0.01  -0.05   0.00     0.00  -0.04   0.01
     4   6     0.00   0.00   0.00     0.09   0.05   0.01    -0.01   0.01  -0.02
     5   6     0.00  -0.00  -0.00     0.06  -0.01  -0.01     0.06   0.01  -0.00
     6   6    -0.00  -0.00  -0.00    -0.07  -0.05   0.01    -0.06  -0.02   0.01
     7   6    -0.00  -0.00  -0.00     0.01   0.01  -0.00     0.01   0.00  -0.00
     8   1    -0.00   0.00   0.00    -0.17   0.04   0.03    -0.02  -0.04  -0.02
     9   1     0.00   0.00   0.00     0.40   0.19  -0.05     0.49   0.27  -0.10
    10   1    -0.00   0.00   0.00    -0.47   0.16   0.00    -0.43   0.17  -0.00
    11   6    -0.00  -0.00  -0.00    -0.05  -0.02  -0.04    -0.00  -0.02   0.08
    12   6     0.00  -0.00   0.00     0.02  -0.01   0.01    -0.01   0.04  -0.03
    13   6    -0.00   0.00   0.00    -0.04   0.09   0.14     0.03  -0.06  -0.14
    14   1    -0.00  -0.00  -0.00    -0.34  -0.17  -0.18     0.02   0.02   0.17
    15   1    -0.00  -0.00   0.00    -0.08  -0.03   0.04     0.07   0.02  -0.17
    16   1     0.00   0.00  -0.00     0.01   0.01  -0.11    -0.00  -0.06   0.05
    17   1    -0.00   0.00   0.00    -0.07   0.01   0.04     0.04  -0.05   0.05
    18   8    -0.00  -0.00  -0.00    -0.03  -0.03   0.00     0.04   0.03   0.00
    19   8     0.00   0.00  -0.00     0.05   0.00  -0.05    -0.05  -0.01   0.04
    20   1     0.00  -0.00  -0.00     0.10  -0.12  -0.43    -0.11   0.12   0.43
    21   6    -0.00  -0.00  -0.00    -0.02   0.02  -0.00    -0.02   0.02  -0.00
    22   6    -0.00  -0.00  -0.00    -0.02  -0.02   0.00    -0.00  -0.02   0.00
    23   6    -0.00  -0.00  -0.00    -0.03  -0.00   0.00    -0.03   0.01   0.00
    24   8     0.00   0.01   0.06     0.03   0.02  -0.01     0.01   0.01  -0.00
    25   6    -0.01  -0.02  -0.14    -0.00  -0.03   0.01    -0.00  -0.01   0.00
    26   1     0.00   0.00   0.00     0.06  -0.02   0.00     0.18  -0.08   0.00
    27   1    -0.00   0.00   0.01    -0.13  -0.05   0.02    -0.24  -0.12   0.04
    28   1     0.00   0.00   0.02     0.10  -0.07   0.01    -0.00  -0.00   0.00
    29   1     0.30   0.59   0.05    -0.02  -0.02   0.01    -0.01  -0.01   0.00
    30   1     0.02   0.05   0.28     0.02   0.05  -0.01     0.00   0.01  -0.00
    31   1    -0.28  -0.53   0.30    -0.02  -0.01  -0.01    -0.01  -0.01  -0.00
                     49                     50                     51
                      A                      A                      A
 Frequencies --   1194.6436              1199.0277              1222.1315
 Red. masses --      1.4623                 1.5793                 1.7380
 Frc consts  --      1.2296                 1.3378                 1.5294
 IR Inten    --     14.7381                26.0099                17.4943
 RamAct Fr= 1--      2.8912                49.7811                 9.1112
  Dep-P Fr= 1--      0.6521                 0.1123                 0.2678
  Dep-U Fr= 1--      0.7894                 0.2020                 0.4225
 Alpha2 Fr= 1--      0.0051                 0.8456                 0.1027
 Beta2  Fr= 1--      0.3804                 1.6758                 0.6415
 AlphaG Fr= 1--      0.0053                 0.0251                -0.0134
 Gamma2 Fr= 1--     -1.8482                -1.4308                 1.0883
 Delta2 Fr= 1--     -0.9684                -0.0023                -0.4787
 Raman1 Fr= 1--      11.565                199.124                 36.445
 ROA1   Fr= 1--    -208.417               -137.433                 89.157
 CID1   Fr= 1--     -18.022                 -0.690                  2.446
 Raman2 Fr= 1--       4.565                 20.110                  7.698
 ROA2   Fr= 1--     -36.609                -34.322                 29.948
 CID2   Fr= 1--      -8.020                 -1.707                  3.890
 Raman3 Fr= 1--       9.130                 40.220                 15.396
 ROA3   Fr= 1--    -208.417               -137.433                 89.157
 CID3   Fr= 1--     -22.828                 -3.417                  5.791
 RC180  Fr= 1--       0.579                 -0.596                 -0.155
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.07   0.05  -0.00    -0.01  -0.02   0.00     0.06  -0.05   0.00
     2   6    -0.06   0.07  -0.01    -0.04   0.03  -0.00     0.11  -0.08   0.01
     3   6     0.02  -0.00  -0.00     0.02  -0.01   0.00    -0.03   0.01  -0.00
     4   6    -0.06   0.01   0.00     0.12   0.05  -0.02    -0.04  -0.05   0.01
     5   6    -0.01   0.00   0.00    -0.01  -0.05   0.01    -0.01   0.04  -0.01
     6   6     0.03  -0.04   0.00     0.00  -0.04   0.01     0.00   0.05  -0.01
     7   6     0.04  -0.04   0.00     0.00   0.03  -0.00    -0.00   0.03  -0.01
     8   1     0.32  -0.16   0.02    -0.29   0.15  -0.02    -0.14   0.07  -0.00
     9   1     0.14   0.10  -0.03    -0.32  -0.25   0.06    -0.05   0.02   0.00
    10   1     0.26  -0.16   0.01     0.14  -0.12   0.01    -0.18   0.16  -0.02
    11   6     0.05   0.00  -0.02    -0.05  -0.02   0.05    -0.00   0.01  -0.02
    12   6    -0.02  -0.02   0.01     0.01   0.04  -0.02     0.01  -0.01   0.01
    13   6    -0.00   0.00   0.02     0.00  -0.00  -0.06     0.01  -0.01   0.01
    14   1     0.19   0.04  -0.05    -0.39  -0.13   0.09     0.17   0.07  -0.01
    15   1     0.03   0.01   0.04     0.00  -0.00  -0.13    -0.02  -0.01   0.05
    16   1    -0.01   0.01   0.05     0.00  -0.05  -0.01     0.01   0.02  -0.03
    17   1     0.04   0.01  -0.05    -0.01  -0.04   0.08    -0.02   0.02  -0.01
    18   8    -0.01  -0.01  -0.00     0.02   0.01   0.00    -0.00   0.00  -0.00
    19   8     0.01   0.00  -0.01    -0.02  -0.01   0.02     0.00   0.00  -0.00
    20   1     0.02  -0.02  -0.06    -0.04   0.04   0.16     0.00  -0.00  -0.04
    21   6    -0.03  -0.01   0.00    -0.00   0.01  -0.00    -0.00   0.01  -0.00
    22   6    -0.05   0.02  -0.00    -0.07   0.01   0.00    -0.01  -0.01   0.00
    23   6     0.01  -0.00  -0.00     0.02  -0.01   0.00    -0.01  -0.02   0.00
    24   8     0.01   0.04  -0.01     0.02   0.04  -0.01    -0.08   0.04  -0.00
    25   6     0.04  -0.05   0.01     0.03  -0.05   0.01     0.13  -0.05   0.00
    26   1     0.45  -0.26   0.01    -0.13   0.10  -0.01    -0.06   0.07  -0.01
    27   1    -0.18  -0.10   0.03     0.15   0.10  -0.03    -0.09  -0.04   0.01
    28   1     0.36  -0.18   0.01     0.38  -0.20   0.01    -0.24   0.09   0.00
    29   1    -0.16  -0.05   0.06    -0.15  -0.04   0.06    -0.37  -0.09   0.13
    30   1     0.14   0.30  -0.06     0.13   0.29  -0.06     0.30   0.55  -0.12
    31   1    -0.17  -0.07  -0.02    -0.15  -0.06  -0.02    -0.38  -0.12  -0.03
                     52                     53                     54
                      A                      A                      A
 Frequencies --   1246.8011              1294.8685              1298.1125
 Red. masses --      2.0031                 2.0937                 1.4499
 Frc consts  --      1.8346                 2.0683                 1.4395
 IR Inten    --    139.8618               121.8660               137.6017
 RamAct Fr= 1--      6.1697                18.1782                10.3273
  Dep-P Fr= 1--      0.2951                 0.3267                 0.7499
  Dep-U Fr= 1--      0.4557                 0.4925                 0.8571
 Alpha2 Fr= 1--      0.0642                 0.1719                 0.0000
 Beta2  Fr= 1--      0.4686                 1.4920                 1.4752
 AlphaG Fr= 1--      0.0308                 0.0454                 0.0007
 Gamma2 Fr= 1--      1.6063                 4.9818                -3.1364
 Delta2 Fr= 1--      1.0117                 0.2811                -2.9044
 Raman1 Fr= 1--      24.679                 72.713                 41.309
 ROA1   Fr= 1--     186.579                487.248               -394.031
 CID1   Fr= 1--       7.560                  6.701                 -9.539
 Raman2 Fr= 1--       5.624                 17.904                 17.703
 ROA2   Fr= 1--      30.458                117.314                -52.038
 CID2   Fr= 1--       5.416                  6.552                 -2.940
 Raman3 Fr= 1--      11.247                 35.808                 35.406
 ROA3   Fr= 1--     186.579                487.248               -394.031
 CID3   Fr= 1--      16.589                 13.607                -11.129
 RC180  Fr= 1--      -0.089                 -0.015                  0.714
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.11  -0.10   0.01     0.05   0.04  -0.01     0.02  -0.03   0.01
     2   6    -0.01  -0.00   0.00     0.15   0.01  -0.01    -0.05   0.00   0.00
     3   6    -0.02   0.04  -0.01    -0.06  -0.01   0.01     0.01   0.00  -0.00
     4   6    -0.07  -0.09   0.02    -0.01  -0.00  -0.00    -0.04  -0.01   0.00
     5   6     0.01   0.01  -0.00    -0.01   0.03  -0.00     0.00  -0.02   0.00
     6   6    -0.00   0.03  -0.01     0.01  -0.02   0.00    -0.00   0.02  -0.00
     7   6     0.01   0.06  -0.01    -0.01   0.02  -0.00     0.01  -0.01   0.00
     8   1    -0.43   0.25  -0.02     0.00  -0.04   0.01    -0.05   0.04   0.00
     9   1     0.10   0.07  -0.02    -0.30  -0.15   0.04     0.13   0.06  -0.03
    10   1     0.28  -0.12   0.00     0.04  -0.04   0.00     0.07  -0.02   0.00
    11   6    -0.05   0.00  -0.02     0.06   0.03   0.03     0.01   0.03   0.05
    12   6     0.03  -0.01   0.01    -0.01  -0.03  -0.01     0.01  -0.05  -0.00
    13   6     0.02  -0.03   0.00    -0.02   0.04   0.03    -0.02   0.05   0.07
    14   1     0.45   0.20   0.02    -0.27  -0.19  -0.28     0.02  -0.15  -0.56
    15   1    -0.06  -0.02   0.06     0.04   0.02   0.06    -0.02  -0.01   0.14
    16   1     0.02   0.02  -0.08    -0.01   0.06   0.03     0.02   0.11  -0.05
    17   1    -0.05   0.03   0.01     0.03   0.01  -0.08    -0.01   0.06  -0.12
    18   8    -0.01   0.01   0.00     0.02   0.00  -0.01     0.04   0.01  -0.02
    19   8     0.00   0.01   0.01    -0.01  -0.02  -0.04    -0.01  -0.04  -0.07
    20   1     0.02  -0.03  -0.13    -0.07   0.11   0.34    -0.12   0.19   0.59
    21   6    -0.01   0.04  -0.01    -0.02   0.01   0.00     0.01   0.01  -0.00
    22   6    -0.11  -0.04   0.02    -0.14  -0.09   0.03     0.05   0.03  -0.01
    23   6    -0.05   0.06  -0.01    -0.08   0.02   0.00     0.02  -0.01  -0.00
    24   8     0.10   0.02  -0.01     0.10   0.03  -0.01    -0.03  -0.01   0.00
    25   6    -0.05  -0.03   0.01    -0.04  -0.04   0.01     0.01   0.01  -0.00
    26   1    -0.07   0.11  -0.02     0.46  -0.23   0.01    -0.25   0.13  -0.00
    27   1    -0.16  -0.05   0.02     0.07   0.07  -0.02    -0.10  -0.06   0.02
    28   1     0.39  -0.17   0.00    -0.34   0.15  -0.00     0.18  -0.09   0.00
    29   1     0.14   0.03  -0.03     0.10   0.03  -0.01    -0.03  -0.02   0.00
    30   1    -0.05  -0.05   0.01    -0.01   0.01  -0.00     0.00  -0.00   0.00
    31   1     0.14   0.04  -0.00     0.10   0.03  -0.02    -0.03  -0.01   0.01
                     55                     56                     57
                      A                      A                      A
 Frequencies --   1302.9977              1323.5338              1335.9201
 Red. masses --      1.9947                 2.1191                 1.7739
 Frc consts  --      1.9953                 2.1872                 1.8653
 IR Inten    --     37.1455                18.8266               142.0692
 RamAct Fr= 1--      1.2764                32.4230                 5.3539
  Dep-P Fr= 1--      0.3354                 0.2001                 0.7195
  Dep-U Fr= 1--      0.5024                 0.3335                 0.8369
 Alpha2 Fr= 1--      0.0117                 0.4402                 0.0028
 Beta2  Fr= 1--      0.1069                 1.8021                 0.7468
 AlphaG Fr= 1--      0.0111                 0.3329                -0.0420
 Gamma2 Fr= 1--     -0.7069                -0.1912                 3.5909
 Delta2 Fr= 1--      0.0370                 0.3801                 2.1061
 Raman1 Fr= 1--       5.106                129.692                 21.416
 ROA1   Fr= 1--     -66.679                 -6.188                412.121
 CID1   Fr= 1--     -13.060                 -0.048                 19.244
 Raman2 Fr= 1--       1.282                 21.625                  8.961
 ROA2   Fr= 1--     -17.262                 -7.629                 69.332
 CID2   Fr= 1--     -13.461                 -0.353                  7.737
 Raman3 Fr= 1--       2.565                 43.250                 17.923
 ROA3   Fr= 1--     -66.679                 -6.188                412.121
 CID3   Fr= 1--     -25.997                 -0.143                 22.994
 RC180  Fr= 1--       0.005                 -0.333                  0.674
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.09  -0.11   0.03     0.11  -0.06   0.00     0.01  -0.00  -0.00
     2   6    -0.02  -0.16   0.03     0.01   0.01  -0.00    -0.00  -0.00   0.00
     3   6     0.04   0.05  -0.01    -0.04  -0.03   0.01    -0.01   0.01  -0.00
     4   6    -0.02   0.02  -0.00    -0.14   0.04   0.00    -0.01  -0.01   0.02
     5   6     0.03   0.01  -0.01    -0.01  -0.02   0.01     0.00  -0.00  -0.00
     6   6     0.00   0.06  -0.01     0.02   0.02  -0.01     0.00   0.01  -0.00
     7   6    -0.01   0.09  -0.02     0.03  -0.01   0.00     0.00  -0.00   0.00
     8   1     0.61  -0.24   0.01     0.07  -0.10   0.02    -0.01   0.01   0.02
     9   1    -0.09  -0.05   0.02    -0.00  -0.01   0.00     0.02   0.01   0.02
    10   1    -0.43   0.29  -0.02     0.12  -0.03  -0.00     0.04  -0.02   0.00
    11   6     0.02   0.00  -0.00     0.20   0.03  -0.01     0.02  -0.07  -0.15
    12   6    -0.01  -0.00   0.00    -0.06   0.01   0.00    -0.03   0.06   0.03
    13   6    -0.00   0.01   0.01    -0.02   0.01  -0.05     0.00   0.03   0.16
    14   1    -0.05  -0.03  -0.02    -0.59  -0.22   0.12    -0.08   0.16   0.72
    15   1     0.02   0.00  -0.01     0.19   0.07  -0.07     0.02  -0.01  -0.20
    16   1    -0.01   0.02   0.00    -0.05  -0.00   0.12    -0.03  -0.16  -0.01
    17   1     0.01   0.01  -0.02     0.15  -0.08  -0.02     0.06  -0.06   0.11
    18   8     0.00  -0.00  -0.00    -0.02  -0.02   0.01     0.02   0.01  -0.03
    19   8    -0.00  -0.00  -0.00     0.01   0.01   0.03    -0.01  -0.03  -0.08
    20   1    -0.01   0.01   0.04     0.05  -0.07  -0.22    -0.09   0.15   0.51
    21   6     0.02  -0.02   0.00     0.00   0.04  -0.01     0.00   0.00  -0.00
    22   6    -0.10  -0.03   0.01     0.01   0.03  -0.01     0.00   0.00  -0.00
    23   6     0.04   0.06  -0.01    -0.04  -0.01   0.00    -0.01   0.00  -0.00
    24   8     0.05   0.01  -0.01    -0.00  -0.01   0.00     0.00  -0.00  -0.00
    25   6    -0.02  -0.02   0.01    -0.00   0.00  -0.00    -0.00   0.00   0.00
    26   1    -0.07   0.13  -0.02    -0.36   0.20  -0.01    -0.02   0.01   0.00
    27   1     0.17   0.08  -0.03    -0.29  -0.14   0.05    -0.03  -0.01   0.01
    28   1     0.32  -0.09  -0.01     0.15  -0.11   0.01     0.04  -0.02   0.00
    29   1     0.07   0.03  -0.01     0.01  -0.00  -0.01     0.00  -0.00  -0.00
    30   1     0.01   0.07  -0.01    -0.00   0.00   0.00    -0.00   0.00   0.00
    31   1     0.07   0.03  -0.01     0.01  -0.00   0.01     0.00  -0.00   0.00
                     58                     59                     60
                      A                      A                      A
 Frequencies --   1385.9836              1400.3482              1415.3191
 Red. masses --      1.8695                 5.0267                 1.2170
 Frc consts  --      2.1159                 5.8077                 1.4363
 IR Inten    --      7.4996                 0.5549                10.8150
 RamAct Fr= 1--      2.0972               487.6960                 1.4297
  Dep-P Fr= 1--      0.1147                 0.2233                 0.1359
  Dep-U Fr= 1--      0.2059                 0.3651                 0.2393
 Alpha2 Fr= 1--      0.0354                 6.2219                 0.0229
 Beta2  Fr= 1--      0.0720                29.6728                 0.0570
 AlphaG Fr= 1--     -0.0217                -0.2764                -0.0263
 Gamma2 Fr= 1--     -0.0786                -0.7428                -0.3086
 Delta2 Fr= 1--     -0.3732                 2.7550                -0.0347
 Raman1 Fr= 1--       8.389               1950.784                  5.719
 ROA1   Fr= 1--     -19.492                 16.855                -30.736
 CID1   Fr= 1--      -2.324                  0.009                 -5.375
 Raman2 Fr= 1--       0.863                356.073                  0.684
 ROA2   Fr= 1--       1.099                -39.866                 -7.129
 CID2   Fr= 1--       1.273                 -0.112                -10.418
 Raman3 Fr= 1--       1.727                712.146                  1.369
 ROA3   Fr= 1--     -19.492                 16.855                -30.736
 CID3   Fr= 1--     -11.288                  0.024                -22.458
 RC180  Fr= 1--      -0.588                 -0.270                 -0.521
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.03   0.05  -0.01     0.14   0.25  -0.06    -0.01  -0.01   0.00
     2   6     0.08   0.01  -0.01    -0.09  -0.22   0.05     0.01   0.00  -0.00
     3   6    -0.06  -0.04   0.01    -0.19   0.11  -0.01     0.01   0.00   0.00
     4   6     0.01   0.09  -0.02     0.09  -0.20   0.03    -0.01   0.00   0.00
     5   6     0.00   0.04  -0.01     0.22   0.09  -0.03    -0.02  -0.01   0.00
     6   6     0.07  -0.07   0.01    -0.20   0.05   0.01     0.01   0.00  -0.00
     7   6     0.05  -0.07   0.01    -0.01  -0.09   0.02     0.00   0.00  -0.00
     8   1     0.13  -0.15   0.02     0.10  -0.03  -0.00     0.02  -0.01  -0.01
     9   1    -0.42  -0.21   0.07    -0.15  -0.16   0.04     0.03   0.03  -0.01
    10   1    -0.36   0.15  -0.00    -0.02  -0.06   0.01     0.01   0.00  -0.00
    11   6    -0.06  -0.03   0.01     0.00   0.02   0.00     0.01  -0.00  -0.01
    12   6     0.02  -0.00   0.00     0.01  -0.00  -0.02     0.04   0.02  -0.13
    13   6     0.01  -0.01   0.01    -0.00   0.00  -0.01    -0.01   0.00   0.01
    14   1     0.40   0.12  -0.04    -0.34  -0.10   0.03    -0.02  -0.00   0.04
    15   1    -0.06  -0.03   0.01    -0.01   0.02   0.06    -0.23   0.12   0.45
    16   1     0.01  -0.02  -0.02     0.01   0.04   0.10     0.07  -0.05   0.59
    17   1    -0.04   0.02  -0.00    -0.07  -0.03   0.07    -0.33  -0.24   0.43
    18   8     0.00   0.00  -0.00     0.00   0.00   0.00     0.01   0.00  -0.00
    19   8    -0.00  -0.00  -0.01     0.00   0.00   0.01     0.00  -0.00  -0.01
    20   1    -0.01   0.01   0.02    -0.00   0.00  -0.02    -0.00   0.01   0.02
    21   6     0.02   0.01  -0.00     0.01  -0.01   0.00     0.00   0.00  -0.00
    22   6    -0.03   0.13  -0.02     0.04   0.07  -0.01    -0.00   0.00   0.00
    23   6    -0.09  -0.05   0.02     0.02   0.03  -0.01    -0.00  -0.00   0.00
    24   8     0.02  -0.03   0.00    -0.02  -0.01   0.00     0.00  -0.00  -0.00
    25   6    -0.02   0.00   0.00    -0.00   0.01  -0.00    -0.00  -0.00   0.00
    26   1    -0.25   0.08   0.00     0.23  -0.23   0.02    -0.02   0.01  -0.00
    27   1    -0.34  -0.22   0.06    -0.16  -0.12   0.03    -0.01  -0.01   0.00
    28   1     0.17  -0.19   0.02     0.47  -0.21   0.01    -0.01   0.00   0.00
    29   1     0.08   0.01  -0.03     0.01  -0.01  -0.01     0.01   0.00  -0.00
    30   1    -0.02   0.01  -0.00     0.00   0.02  -0.00     0.00   0.01  -0.00
    31   1     0.08   0.01   0.01     0.01  -0.01   0.02     0.01   0.00  -0.00
                     61                     62                     63
                      A                      A                      A
 Frequencies --   1426.8675              1456.9537              1476.1770
 Red. masses --      3.5392                 3.5786                 1.2342
 Frc consts  --      4.2454                 4.4757                 1.5846
 IR Inten    --     78.2201                12.0604                 7.4485
 RamAct Fr= 1--    241.1812               148.0962                 8.8001
  Dep-P Fr= 1--      0.2167                 0.2257                 0.6450
  Dep-U Fr= 1--      0.3561                 0.3682                 0.7842
 Alpha2 Fr= 1--      3.1326                 1.8772                 0.0166
 Beta2  Fr= 1--     14.3160                 9.0890                 1.1501
 AlphaG Fr= 1--     -0.2338                -0.5479                -0.0083
 Gamma2 Fr= 1--     -1.2221                -2.3431                 0.7954
 Delta2 Fr= 1--      1.3443                -0.1485                 0.3851
 Raman1 Fr= 1--     964.725                592.385                 35.200
 ROA1   Fr= 1--     -74.305               -229.690                 88.682
 CID1   Fr= 1--      -0.077                 -0.388                  2.519
 Raman2 Fr= 1--     171.792                109.068                 13.802
 ROA2   Fr= 1--     -40.085                -55.046                 16.009
 CID2   Fr= 1--      -0.233                 -0.505                  1.160
 Raman3 Fr= 1--     343.584                218.136                 27.603
 ROA3   Fr= 1--     -74.305               -229.690                 88.682
 CID3   Fr= 1--      -0.216                 -1.053                  3.213
 RC180  Fr= 1--      -0.288                 -0.264                  0.568
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.02  -0.14   0.03     0.18  -0.01  -0.01    -0.02  -0.00   0.00
     2   6     0.08   0.15  -0.03    -0.17   0.02   0.01     0.01   0.02  -0.00
     3   6    -0.08   0.07  -0.01    -0.11  -0.05   0.02    -0.01   0.02  -0.00
     4   6     0.06   0.02  -0.01    -0.04   0.20  -0.03     0.03   0.00  -0.00
     5   6     0.10   0.01  -0.01     0.12  -0.05   0.00     0.00  -0.02   0.00
     6   6    -0.11  -0.05   0.02    -0.08  -0.00   0.01    -0.04   0.01   0.00
     7   6    -0.15   0.01   0.01     0.13  -0.00  -0.01     0.00  -0.03   0.00
     8   1     0.53  -0.25   0.01     0.26  -0.26   0.03     0.10  -0.04   0.00
     9   1    -0.18  -0.18   0.04    -0.19  -0.25   0.06     0.08   0.03  -0.01
    10   1     0.27  -0.26   0.03     0.07  -0.10   0.01     0.13  -0.07   0.00
    11   6    -0.03  -0.01   0.01    -0.02  -0.05   0.01    -0.01  -0.00   0.00
    12   6     0.01  -0.00  -0.00     0.01   0.00  -0.01     0.00  -0.00   0.00
    13   6     0.00  -0.00  -0.00     0.00   0.00   0.02     0.00  -0.00  -0.00
    14   1     0.09   0.03  -0.01     0.38   0.10  -0.03    -0.00  -0.00   0.00
    15   1    -0.04  -0.02  -0.02    -0.07  -0.01   0.03    -0.03  -0.03  -0.04
    16   1     0.01   0.02   0.01     0.01  -0.06   0.04     0.00  -0.00   0.02
    17   1    -0.06   0.03  -0.00    -0.02  -0.00   0.02    -0.03   0.04  -0.03
    18   8     0.00   0.00   0.00    -0.00   0.00  -0.00     0.00   0.00   0.00
    19   8     0.00   0.00   0.00     0.00  -0.00  -0.01    -0.00   0.00   0.00
    20   1    -0.00   0.00  -0.02    -0.01   0.02   0.01    -0.00  -0.00   0.00
    21   6     0.17   0.08  -0.03    -0.15   0.04   0.00     0.04   0.03  -0.01
    22   6     0.12  -0.17   0.02    -0.02  -0.14   0.03     0.01  -0.02   0.00
    23   6    -0.14   0.11  -0.01     0.14   0.00  -0.01     0.03  -0.01   0.00
    24   8    -0.06   0.01   0.00     0.01   0.04  -0.01    -0.03  -0.02   0.01
    25   6     0.05   0.03  -0.01     0.03  -0.01   0.00    -0.05  -0.08   0.02
    26   1    -0.07  -0.05   0.01    -0.11   0.15  -0.02    -0.13   0.04   0.00
    27   1    -0.12  -0.11   0.03     0.10   0.23  -0.05    -0.12  -0.07   0.02
    28   1     0.20  -0.05  -0.00    -0.35   0.27  -0.02    -0.14   0.08  -0.00
    29   1    -0.19  -0.12   0.00    -0.11   0.07   0.07     0.38   0.36   0.07
    30   1    -0.01  -0.15   0.03    -0.00  -0.10   0.02     0.13   0.54  -0.11
    31   1    -0.19  -0.11   0.07    -0.12   0.04  -0.08     0.35   0.30  -0.24
                     64                     65                     66
                      A                      A                      A
 Frequencies --   1492.4741              1493.1481              1497.1000
 Red. masses --      1.0479                 1.0461                 1.0559
 Frc consts  --      1.3753                 1.3741                 1.3944
 IR Inten    --      8.7035                 8.7877                 7.1797
 RamAct Fr= 1--      4.7402                 8.5601                 3.5090
  Dep-P Fr= 1--      0.7487                 0.7499                 0.7223
  Dep-U Fr= 1--      0.8563                 0.8571                 0.8388
 Alpha2 Fr= 1--      0.0001                 0.0000                 0.0017
 Beta2  Fr= 1--      0.6765                 1.2228                 0.4906
 AlphaG Fr= 1--     -0.0009                -0.0030                 0.0357
 Gamma2 Fr= 1--      0.7249                -0.0759                 0.8412
 Delta2 Fr= 1--     -0.4858                 0.0327                 1.6056
 Raman1 Fr= 1--      18.961                 34.240                 14.036
 ROA1   Fr= 1--      54.040                 -6.243                132.136
 CID1   Fr= 1--       2.850                 -0.182                  9.414
 Raman2 Fr= 1--       8.118                 14.674                  5.887
 ROA2   Fr= 1--      21.283                 -2.083                  7.344
 CID2   Fr= 1--       2.622                 -0.142                  1.248
 Raman3 Fr= 1--      16.236                 29.347                 11.773
 ROA3   Fr= 1--      54.040                 -6.243                132.136
 CID3   Fr= 1--       3.328                 -0.213                 11.223
 RC180  Fr= 1--       0.713                  0.714                  0.678
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00  -0.00   0.00    -0.00   0.00  -0.00    -0.00  -0.00   0.00
     2   6    -0.00   0.00  -0.00     0.00   0.00   0.00    -0.01   0.01  -0.00
     3   6     0.00  -0.00  -0.00     0.00  -0.00  -0.00     0.00  -0.00  -0.00
     4   6     0.00  -0.00   0.00    -0.00  -0.00   0.00     0.00   0.00   0.00
     5   6     0.01   0.00  -0.00    -0.00   0.00  -0.00     0.01   0.01  -0.00
     6   6    -0.00  -0.00   0.00     0.00  -0.00   0.00     0.00  -0.01   0.00
     7   6    -0.01   0.00   0.00     0.00   0.00   0.00    -0.00   0.00  -0.00
     8   1     0.00  -0.00  -0.00    -0.00   0.00   0.00    -0.01   0.01   0.01
     9   1    -0.02  -0.02   0.00    -0.00   0.00  -0.00    -0.04  -0.02   0.01
    10   1    -0.01  -0.00   0.00    -0.00   0.00  -0.00    -0.03   0.01   0.00
    11   6    -0.02   0.01   0.00     0.00  -0.00  -0.00    -0.02  -0.02  -0.01
    12   6    -0.03   0.03  -0.02     0.00  -0.00   0.00    -0.03  -0.04  -0.01
    13   6     0.00   0.00   0.00    -0.00  -0.00  -0.00    -0.00  -0.00   0.01
    14   1     0.03   0.02  -0.06    -0.00  -0.00   0.00     0.04   0.02   0.04
    15   1     0.03   0.21   0.46     0.00  -0.00  -0.00     0.62   0.23   0.06
    16   1    -0.05  -0.37  -0.34     0.00   0.00   0.00    -0.02   0.60  -0.17
    17   1     0.57  -0.39   0.11    -0.00   0.00  -0.00    -0.12  -0.23   0.30
    18   8    -0.00  -0.00   0.00     0.00   0.00   0.00     0.01   0.00  -0.00
    19   8     0.00  -0.00  -0.00     0.00   0.00   0.00    -0.00  -0.00  -0.00
    20   1    -0.00   0.00  -0.00     0.00  -0.00  -0.00    -0.00   0.00   0.00
    21   6     0.01   0.00  -0.00    -0.00   0.00   0.00    -0.00  -0.00   0.00
    22   6     0.01  -0.01   0.00    -0.00  -0.00  -0.00     0.01  -0.00   0.00
    23   6    -0.00   0.00  -0.00     0.00   0.00   0.00     0.00   0.00  -0.00
    24   8    -0.01  -0.00   0.00    -0.00  -0.00  -0.01    -0.00  -0.00   0.00
    25   6    -0.00  -0.01   0.00    -0.00  -0.01  -0.06    -0.00  -0.01   0.00
    26   1     0.01  -0.01   0.00     0.00  -0.00  -0.00     0.00  -0.00   0.00
    27   1     0.00  -0.00  -0.00     0.00  -0.00  -0.00     0.01   0.01  -0.00
    28   1     0.01  -0.00  -0.00    -0.00  -0.00  -0.03    -0.00   0.01  -0.00
    29   1     0.02   0.03   0.01    -0.48  -0.00   0.11     0.01   0.04   0.02
    30   1     0.01   0.04  -0.00     0.05   0.13   0.71     0.00   0.02  -0.00
    31   1     0.03   0.02  -0.02     0.48   0.03   0.03     0.01   0.03  -0.03
                     67                     68                     69
                      A                      A                      A
 Frequencies --   1506.0519              1524.8817              1547.2556
 Red. masses --      1.0655                 2.3850                 3.6146
 Frc consts  --      1.4240                 3.2675                 5.0984
 IR Inten    --     38.8858                59.9367                26.0772
 RamAct Fr= 1--      1.5294               128.0551                 5.6885
  Dep-P Fr= 1--      0.7416                 0.2301                 0.2741
  Dep-U Fr= 1--      0.8516                 0.3741                 0.4303
 Alpha2 Fr= 1--      0.0002                 1.6037                 0.0629
 Beta2  Fr= 1--      0.2171                 7.9838                 0.4080
 AlphaG Fr= 1--      0.0005                -0.1530                -0.1008
 Gamma2 Fr= 1--     -0.0328                -0.2159                -1.2565
 Delta2 Fr= 1--     -0.0663                 0.4895                 0.3449
 Raman1 Fr= 1--       6.118                512.220                 22.754
 ROA1   Fr= 1--      -5.268                 -5.063               -109.587
 CID1   Fr= 1--      -0.861                 -0.010                 -4.816
 Raman2 Fr= 1--       2.605                 95.805                  4.896
 ROA2   Fr= 1--      -0.256                 -9.098                -32.915
 CID2   Fr= 1--      -0.098                 -0.095                 -6.723
 Raman3 Fr= 1--       5.210                191.611                  9.791
 ROA3   Fr= 1--      -5.268                 -5.063               -109.587
 CID3   Fr= 1--      -1.011                 -0.026                -11.192
 RC180  Fr= 1--       0.703                 -0.252                 -0.139
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.02   0.01  -0.00     0.10  -0.04   0.00     0.10  -0.05   0.00
     2   6     0.00  -0.00   0.00    -0.08   0.04  -0.00     0.14  -0.09   0.01
     3   6     0.01   0.01  -0.00     0.05  -0.05   0.01    -0.08  -0.03   0.01
     4   6     0.00  -0.02   0.00    -0.12   0.02   0.01     0.08   0.17  -0.04
     5   6    -0.01   0.01  -0.00     0.07   0.07  -0.02    -0.08  -0.15   0.03
     6   6     0.01  -0.01   0.00     0.07  -0.07   0.01    -0.12   0.14  -0.02
     7   6     0.00  -0.01   0.00    -0.11   0.09  -0.01    -0.08   0.10  -0.01
     8   1    -0.02   0.02  -0.00    -0.20   0.07   0.00     0.20  -0.19   0.02
     9   1    -0.01   0.01  -0.00    -0.32  -0.16   0.05     0.37   0.11  -0.05
    10   1    -0.04   0.02  -0.00    -0.29   0.11   0.00     0.44  -0.14  -0.00
    11   6     0.00   0.00  -0.00     0.03  -0.00  -0.00    -0.03  -0.03   0.01
    12   6     0.00   0.00   0.00     0.01   0.00  -0.00    -0.00  -0.00   0.00
    13   6    -0.00  -0.00  -0.00    -0.00   0.00   0.00     0.00   0.00   0.00
    14   1    -0.03  -0.01   0.00     0.03   0.00  -0.00     0.16   0.04  -0.02
    15   1    -0.02  -0.01  -0.00    -0.08  -0.04  -0.03     0.04   0.02   0.01
    16   1     0.00  -0.02   0.01     0.01  -0.04   0.08    -0.00   0.03  -0.04
    17   1     0.00   0.01  -0.01    -0.05   0.05  -0.03     0.01  -0.03   0.02
    18   8     0.00   0.00  -0.00    -0.00  -0.00  -0.00    -0.00  -0.00   0.00
    19   8    -0.00   0.00   0.00     0.00  -0.00  -0.00    -0.00  -0.00  -0.00
    20   1     0.00  -0.00   0.00     0.00   0.00  -0.01    -0.00   0.01   0.00
    21   6     0.01   0.01  -0.00    -0.05  -0.09   0.02    -0.06  -0.13   0.03
    22   6    -0.01   0.00   0.00     0.16   0.01  -0.01     0.05   0.18  -0.04
    23   6    -0.01   0.00  -0.00    -0.06   0.04  -0.00    -0.08  -0.05   0.01
    24   8     0.02  -0.01   0.00    -0.06  -0.02   0.01     0.00  -0.03   0.00
    25   6     0.04  -0.03   0.00    -0.03  -0.03   0.01    -0.01  -0.01   0.00
    26   1    -0.02   0.00   0.00     0.38  -0.17   0.00     0.33  -0.11  -0.00
    27   1    -0.04  -0.03   0.01     0.34   0.15  -0.05     0.24   0.05  -0.03
    28   1     0.04  -0.02   0.00     0.24  -0.10   0.00     0.17  -0.18   0.02
    29   1    -0.25   0.51   0.31     0.17   0.20   0.05    -0.01   0.12   0.05
    30   1    -0.08  -0.36   0.07     0.05   0.24  -0.05    -0.03  -0.07   0.01
    31   1    -0.31   0.38  -0.43     0.15   0.16  -0.14    -0.02   0.09  -0.09
                     70                     71                     72
                      A                      A                      A
 Frequencies --   1615.2904              1651.6100              1672.3923
 Red. masses --      6.9900                 5.5257                 6.1270
 Frc consts  --     10.7455                 8.8808                10.0966
 IR Inten    --      5.2068                84.5677                86.9774
 RamAct Fr= 1--     40.1605                24.1756               234.2039
  Dep-P Fr= 1--      0.2401                 0.4128                 0.4370
  Dep-U Fr= 1--      0.3873                 0.5843                 0.6082
 Alpha2 Fr= 1--      0.4892                 0.1710                 1.5117
 Beta2  Fr= 1--      2.5921                 2.3544                23.7398
 AlphaG Fr= 1--      0.2943                -0.0176                -0.2624
 Gamma2 Fr= 1--     -0.5003                 0.4027                -1.6608
 Delta2 Fr= 1--      0.2481                -1.4535                 0.3850
 Raman1 Fr= 1--     160.642                 96.702                936.816
 ROA1   Fr= 1--     -40.094                 -7.855               -147.115
 CID1   Fr= 1--      -0.250                 -0.081                 -0.157
 Raman2 Fr= 1--      31.106                 28.253                284.878
 ROA2   Fr= 1--     -13.993                 21.292                -42.938
 CID2   Fr= 1--      -0.450                  0.754                 -0.151
 Raman3 Fr= 1--      62.212                 56.506                569.756
 ROA3   Fr= 1--     -40.094                 -7.855               -147.115
 CID3   Fr= 1--      -0.644                 -0.139                 -0.258
 RC180  Fr= 1--      -0.225                  0.169                  0.216
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.08  -0.27   0.05    -0.06   0.01   0.00    -0.24   0.09   0.00
     2   6     0.09   0.27  -0.06     0.02  -0.02   0.00     0.23  -0.08  -0.00
     3   6    -0.08   0.17  -0.03     0.22  -0.15   0.01     0.18  -0.09   0.00
     4   6     0.01  -0.23   0.04    -0.19   0.13  -0.01    -0.11   0.06  -0.00
     5   6     0.18   0.13  -0.04     0.23   0.03  -0.02     0.16   0.02  -0.01
     6   6    -0.13  -0.08   0.02    -0.23   0.05   0.01    -0.20   0.07   0.00
     7   6     0.14   0.08  -0.02    -0.20   0.03   0.01     0.27  -0.08  -0.00
     8   1     0.32  -0.03  -0.02    -0.36   0.14   0.00    -0.27   0.14  -0.01
     9   1    -0.21  -0.12   0.03    -0.22  -0.26   0.06    -0.11  -0.15   0.03
    10   1     0.07  -0.19   0.03     0.17  -0.18   0.02     0.22  -0.16   0.01
    11   6     0.01   0.02  -0.00     0.02  -0.02  -0.00     0.01  -0.01  -0.00
    12   6     0.00   0.00  -0.00     0.00   0.00  -0.00     0.00   0.00  -0.00
    13   6    -0.01  -0.00  -0.00    -0.00   0.00   0.01     0.00   0.00   0.00
    14   1    -0.17  -0.04   0.02     0.12   0.02  -0.01     0.05   0.01  -0.00
    15   1    -0.01   0.00   0.02    -0.02  -0.01  -0.00    -0.00  -0.00  -0.00
    16   1    -0.00  -0.02  -0.00     0.00  -0.00   0.03     0.00   0.00   0.01
    17   1     0.02  -0.00  -0.00    -0.02   0.01   0.00    -0.01   0.00   0.00
    18   8     0.01   0.00  -0.00     0.00  -0.00  -0.00    -0.00  -0.00  -0.00
    19   8     0.00   0.00   0.00     0.00  -0.00  -0.00     0.00   0.00  -0.00
    20   1     0.00  -0.00   0.00     0.00   0.01  -0.02     0.01  -0.00  -0.02
    21   6    -0.20  -0.15   0.04     0.22   0.02  -0.02    -0.22  -0.01   0.02
    22   6    -0.03   0.27  -0.05    -0.17   0.13  -0.01     0.14  -0.10   0.01
    23   6     0.09  -0.20   0.03     0.15  -0.12   0.01    -0.20   0.12  -0.01
    24   8     0.03  -0.02   0.00     0.03  -0.01   0.00    -0.01   0.01  -0.00
    25   6    -0.01   0.00   0.00     0.01   0.01  -0.00    -0.01  -0.01   0.00
    26   1    -0.04   0.19  -0.03     0.12  -0.16   0.02    -0.28   0.22  -0.02
    27   1     0.19   0.11  -0.03    -0.19  -0.26   0.06     0.13   0.23  -0.05
    28   1    -0.36   0.02   0.02    -0.26   0.07   0.00     0.31  -0.14   0.00
    29   1     0.01   0.00  -0.00    -0.06  -0.04  -0.01     0.04   0.05   0.02
    30   1    -0.03  -0.05   0.01    -0.02  -0.09   0.02     0.01   0.05  -0.01
    31   1     0.01   0.00   0.00    -0.05  -0.03   0.04     0.03   0.04  -0.04
                     73                     74                     75
                      A                      A                      A
 Frequencies --   1835.7563              3011.0945              3013.7568
 Red. masses --     10.4395                 1.0345                 1.0813
 Frc consts  --     20.7281                 5.5264                 5.7867
 IR Inten    --    408.7640                47.6301                10.7406
 RamAct Fr= 1--     31.1478               232.6292                92.3577
  Dep-P Fr= 1--      0.3239                 0.0695                 0.1230
  Dep-U Fr= 1--      0.4893                 0.1299                 0.2191
 Alpha2 Fr= 1--      0.2970                 4.3860                 1.5277
 Beta2  Fr= 1--      2.5402                 5.0370                 3.3728
 AlphaG Fr= 1--     -1.1594                -0.1343                -0.4091
 Gamma2 Fr= 1--     -4.5710                 0.3805                -3.0612
 Delta2 Fr= 1--      0.2681                 0.3355                -1.7899
 Raman1 Fr= 1--     124.591                930.517                369.431
 ROA1   Fr= 1--    -430.234                 47.268               -351.153
 CID1   Fr= 1--      -3.453                  0.051                 -0.951
 Raman2 Fr= 1--      30.482                 60.443                 40.474
 ROA2   Fr= 1--    -111.848                  6.449                -59.150
 CID2   Fr= 1--      -3.669                  0.107                 -1.461
 Raman3 Fr= 1--      60.965                120.887                 80.948
 ROA3   Fr= 1--    -430.234                 47.268               -351.153
 CID3   Fr= 1--      -7.057                  0.391                 -4.338
 RC180  Fr= 1--      -0.021                 -0.740                 -0.562
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00  -0.00   0.00     0.00   0.00  -0.00    -0.00  -0.00   0.00
     2   6    -0.00   0.00  -0.00    -0.00  -0.00   0.00    -0.00   0.00  -0.00
     3   6     0.00   0.01   0.00    -0.00   0.00  -0.00    -0.00   0.00   0.00
     4   6    -0.01  -0.02  -0.00     0.00  -0.00   0.00     0.00  -0.00   0.00
     5   6     0.00   0.00  -0.00    -0.00  -0.00   0.00    -0.00   0.00  -0.00
     6   6     0.00  -0.00   0.00     0.00  -0.00   0.00     0.00   0.00  -0.00
     7   6     0.00   0.00  -0.00    -0.00   0.00  -0.00     0.00  -0.00   0.00
     8   1    -0.00   0.00  -0.01    -0.00  -0.00   0.00     0.00   0.00  -0.00
     9   1    -0.01  -0.00  -0.00    -0.00   0.00  -0.00     0.01  -0.01   0.00
    10   1    -0.00  -0.00   0.00     0.00   0.00  -0.00     0.00   0.00  -0.00
    11   6    -0.04  -0.03  -0.00     0.00  -0.00   0.00     0.03  -0.07   0.02
    12   6     0.01   0.00  -0.01    -0.00   0.00  -0.00    -0.00   0.01  -0.00
    13   6     0.63   0.37  -0.12    -0.00  -0.00   0.00    -0.00  -0.00   0.00
    14   1    -0.02  -0.01  -0.04    -0.01   0.02  -0.01    -0.33   0.89  -0.27
    15   1     0.01   0.03   0.03     0.00  -0.00   0.00     0.03  -0.08   0.03
    16   1     0.03   0.05   0.04    -0.00   0.00  -0.00     0.01   0.00   0.00
    17   1    -0.07  -0.03   0.09    -0.00   0.00   0.00    -0.01  -0.01  -0.01
    18   8    -0.40  -0.23   0.08     0.00   0.00  -0.00     0.00   0.00  -0.00
    19   8    -0.04  -0.03  -0.02    -0.00  -0.00   0.00     0.00   0.00  -0.00
    20   1    -0.06   0.14   0.42     0.00   0.00  -0.00     0.00  -0.00   0.00
    21   6     0.00  -0.00   0.00     0.00   0.00  -0.00    -0.00  -0.00   0.00
    22   6    -0.01   0.00  -0.00    -0.00   0.00   0.00     0.00   0.00  -0.00
    23   6     0.00  -0.00   0.00    -0.00  -0.00   0.00     0.00   0.00  -0.00
    24   8     0.00   0.00  -0.00     0.00   0.00  -0.00    -0.00  -0.00   0.00
    25   6    -0.00  -0.00   0.00    -0.00   0.05  -0.01     0.00  -0.00   0.00
    26   1     0.00   0.00  -0.00    -0.00  -0.00   0.00    -0.00   0.00  -0.00
    27   1    -0.00  -0.00   0.00    -0.00   0.00  -0.00    -0.00   0.00  -0.00
    28   1    -0.01   0.00   0.00     0.01   0.02  -0.00    -0.00  -0.00   0.00
    29   1    -0.00   0.00   0.00     0.17  -0.25   0.60    -0.00   0.01  -0.02
    30   1    -0.00  -0.00   0.00    -0.28   0.09   0.00     0.01  -0.00  -0.00
    31   1    -0.00   0.00  -0.00     0.09  -0.45  -0.49    -0.00   0.01   0.01
                     76                     77                     78
                      A                      A                      A
 Frequencies --   3050.6222              3067.6384              3114.0768
 Red. masses --      1.0349                 1.1058                 1.1027
 Frc consts  --      5.6744                 6.1309                 6.3004
 IR Inten    --     16.4755                33.0668                15.9485
 RamAct Fr= 1--    184.1382                59.3994                34.2201
  Dep-P Fr= 1--      0.0284                 0.7499                 0.6544
  Dep-U Fr= 1--      0.0552                 0.8571                 0.7911
 Alpha2 Fr= 1--      3.8284                 0.0001                 0.0586
 Beta2  Fr= 1--      1.6945                 8.4852                 4.5121
 AlphaG Fr= 1--     -0.2064                -0.0578                 0.0184
 Gamma2 Fr= 1--      1.2868                -0.9793                -5.2144
 Delta2 Fr= 1--      3.7491                -0.3860                -1.2231
 Raman1 Fr= 1--     736.553                237.598                136.881
 ROA1   Fr= 1--     243.502               -106.362               -539.721
 CID1   Fr= 1--       0.331                 -0.448                 -3.943
 Raman2 Fr= 1--      20.334                101.823                 54.145
 ROA2   Fr= 1--       0.890                -20.415               -115.360
 CID2   Fr= 1--       0.044                 -0.200                 -2.131
 Raman3 Fr= 1--      40.669                203.646                108.291
 ROA3   Fr= 1--     243.502               -106.362               -539.721
 CID3   Fr= 1--       5.987                 -0.522                 -4.984
 RC180  Fr= 1--      -0.890                  0.714                  0.582
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00   0.00  -0.00    -0.00  -0.00  -0.00    -0.00   0.00  -0.00
     2   6     0.00   0.00   0.00    -0.00  -0.00  -0.00    -0.00   0.00   0.00
     3   6     0.00   0.00  -0.00     0.00   0.00   0.00     0.00   0.00  -0.00
     4   6     0.00  -0.00  -0.00    -0.00   0.00  -0.00     0.00   0.00   0.00
     5   6    -0.00   0.00  -0.00     0.00   0.00   0.00    -0.00   0.00  -0.00
     6   6    -0.00  -0.00   0.00     0.00   0.00   0.00     0.00  -0.00   0.00
     7   6     0.00   0.00  -0.00    -0.00  -0.00  -0.00     0.00  -0.00  -0.00
     8   1    -0.00  -0.01   0.00     0.00   0.00  -0.00    -0.02  -0.03   0.01
     9   1     0.00  -0.00   0.00    -0.00  -0.00  -0.00     0.01  -0.01   0.00
    10   1     0.00   0.00  -0.00    -0.00  -0.00  -0.00     0.00   0.00  -0.00
    11   6     0.00  -0.00   0.00    -0.00   0.00  -0.00     0.00  -0.01   0.00
    12   6    -0.00  -0.01   0.05     0.00   0.00  -0.00     0.00  -0.09  -0.01
    13   6    -0.00  -0.00  -0.00     0.00  -0.00  -0.00    -0.00  -0.00   0.00
    14   1    -0.01   0.03  -0.01     0.00  -0.00   0.00    -0.03   0.08  -0.03
    15   1    -0.20   0.56  -0.19     0.00  -0.00   0.00    -0.23   0.63  -0.24
    16   1     0.47  -0.01  -0.02    -0.00   0.00   0.00    -0.04  -0.02  -0.00
    17   1    -0.24  -0.45  -0.37     0.00   0.00   0.00     0.27   0.48   0.41
    18   8     0.00   0.00  -0.00    -0.00  -0.00   0.00     0.00   0.00  -0.00
    19   8     0.00   0.00   0.00    -0.00   0.00   0.00     0.00   0.00  -0.00
    20   1    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00
    21   6    -0.00   0.00   0.00    -0.00  -0.00  -0.00    -0.00  -0.00   0.00
    22   6     0.00  -0.00   0.00     0.00   0.00   0.00    -0.00   0.00  -0.00
    23   6    -0.00   0.00  -0.00    -0.00  -0.00   0.00     0.00   0.00  -0.00
    24   8    -0.00   0.00   0.00     0.00   0.00   0.00     0.00   0.00   0.00
    25   6    -0.00   0.00  -0.00    -0.01  -0.02  -0.09     0.00  -0.00  -0.00
    26   1    -0.00  -0.00   0.00     0.00   0.00   0.00    -0.00  -0.00   0.00
    27   1     0.00  -0.00   0.00    -0.00  -0.00  -0.00     0.00  -0.00   0.00
    28   1     0.00   0.00  -0.00     0.00   0.00   0.00    -0.00  -0.00   0.00
    29   1     0.00  -0.00   0.00     0.19  -0.28   0.62    -0.00   0.00  -0.00
    30   1    -0.00   0.00  -0.00    -0.00  -0.00  -0.02    -0.00   0.00   0.00
    31   1     0.00  -0.00  -0.00    -0.11   0.48   0.50    -0.00   0.00   0.00
                     79                     80                     81
                      A                      A                      A
 Frequencies --   3133.1339              3140.1729              3157.1065
 Red. masses --      1.1020                 1.0993                 1.0898
 Frc consts  --      6.3738                 6.3867                 6.3997
 IR Inten    --     17.1214                22.8754                 6.6750
 RamAct Fr= 1--    171.1296               178.3743                46.1469
  Dep-P Fr= 1--      0.4794                 0.4071                 0.2687
  Dep-U Fr= 1--      0.6481                 0.5787                 0.4236
 Alpha2 Fr= 1--      0.9275                 1.2878                 0.5187
 Beta2  Fr= 1--     18.4848                17.2036                 3.2576
 AlphaG Fr= 1--      0.6742                 0.0062                -0.2585
 Gamma2 Fr= 1--      6.3797                -0.4107                 1.0677
 Delta2 Fr= 1--     -1.2914                 0.2125                 1.3894
 Raman1 Fr= 1--     684.518                713.497                184.588
 ROA1   Fr= 1--     571.129                -32.624                146.959
 CID1   Fr= 1--       0.834                 -0.046                  0.796
 Raman2 Fr= 1--     221.817                206.444                 39.091
 ROA2   Fr= 1--     163.445                -11.556                 14.510
 CID2   Fr= 1--       0.737                 -0.056                  0.371
 Raman3 Fr= 1--     443.635                412.887                 78.183
 ROA3   Fr= 1--     571.129                -32.624                146.959
 CID3   Fr= 1--       1.287                 -0.079                  1.880
 RC180  Fr= 1--       0.296                  0.157                 -0.153
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00  -0.00   0.00     0.00   0.00  -0.00     0.00  -0.00   0.00
     2   6     0.00  -0.00  -0.00     0.00  -0.00   0.00     0.00   0.00  -0.00
     3   6    -0.00  -0.00   0.00    -0.00  -0.00   0.00    -0.04  -0.07   0.02
     4   6     0.00   0.00  -0.00    -0.00  -0.00  -0.00    -0.00   0.00  -0.00
     5   6     0.00  -0.00   0.00    -0.00   0.00  -0.00     0.00  -0.00  -0.00
     6   6    -0.00   0.00  -0.00     0.00   0.00  -0.00    -0.00  -0.00   0.00
     7   6     0.00   0.00  -0.00    -0.00   0.00   0.00     0.00   0.01  -0.00
     8   1     0.01   0.01  -0.00     0.00   0.00  -0.00     0.45   0.86  -0.19
     9   1    -0.00   0.01  -0.00     0.00  -0.00   0.00    -0.01   0.01  -0.00
    10   1    -0.00  -0.00   0.00    -0.00  -0.00   0.00     0.02   0.04  -0.01
    11   6    -0.00   0.00  -0.00     0.00  -0.00   0.00     0.00  -0.00   0.00
    12   6    -0.09   0.00  -0.02     0.00  -0.00   0.00     0.00  -0.00   0.00
    13   6    -0.00  -0.00   0.00     0.00   0.00  -0.00     0.00  -0.00  -0.00
    14   1     0.01  -0.03   0.01    -0.00   0.00  -0.00     0.00   0.00  -0.00
    15   1     0.08  -0.26   0.09    -0.00   0.00  -0.00    -0.01   0.03  -0.01
    16   1     0.88  -0.02  -0.05    -0.00   0.00   0.00    -0.01  -0.00   0.00
    17   1     0.12   0.26   0.21    -0.00  -0.00  -0.00     0.00   0.01   0.01
    18   8     0.00   0.00  -0.00    -0.00  -0.00   0.00     0.00   0.00   0.00
    19   8     0.00   0.00  -0.00     0.00   0.00  -0.00    -0.00   0.00   0.00
    20   1     0.00   0.00  -0.00    -0.00  -0.00   0.00     0.00   0.00  -0.00
    21   6    -0.00   0.00  -0.00     0.00   0.00  -0.00     0.00  -0.00   0.00
    22   6     0.00  -0.00  -0.00     0.00   0.00  -0.00     0.00   0.00  -0.00
    23   6    -0.00  -0.00   0.00    -0.00  -0.00   0.00     0.00  -0.00   0.00
    24   8    -0.00  -0.00   0.00    -0.00  -0.00   0.00    -0.00   0.00   0.00
    25   6    -0.00   0.00  -0.00    -0.08   0.04  -0.00     0.00  -0.00  -0.00
    26   1    -0.00  -0.00   0.00    -0.00  -0.00   0.00    -0.04  -0.07   0.02
    27   1     0.00  -0.00   0.00     0.00  -0.00   0.00    -0.01   0.01  -0.00
    28   1     0.00   0.00  -0.00     0.01   0.02  -0.01    -0.00   0.00   0.00
    29   1     0.00  -0.00   0.00     0.04  -0.06   0.18     0.00  -0.00  -0.00
    30   1     0.00  -0.00  -0.00     0.92  -0.27  -0.01    -0.00   0.00   0.00
    31   1     0.00  -0.00  -0.00     0.02  -0.12  -0.15     0.00   0.00   0.00
                     82                     83                     84
                      A                      A                      A
 Frequencies --   3161.5794              3174.9084              3179.2345
 Red. masses --      1.0863                 1.0882                 1.0945
 Frc consts  --      6.3977                 6.4631                 6.5180
 IR Inten    --      4.9885                 6.3767                14.4098
 RamAct Fr= 1--     71.7767                68.9184               169.2366
  Dep-P Fr= 1--      0.6712                 0.5681                 0.1657
  Dep-U Fr= 1--      0.8032                 0.7245                 0.2843
 Alpha2 Fr= 1--      0.1003                 0.2369                 2.5134
 Beta2  Fr= 1--      9.6090                 8.3224                 8.0194
 AlphaG Fr= 1--      0.0844                 0.0105                 0.2390
 Gamma2 Fr= 1--      1.6654                 0.5944                -0.1173
 Delta2 Fr= 1--      0.7879                -0.1826                -0.8647
 Raman1 Fr= 1--     287.107                275.674                676.946
 ROA1   Fr= 1--     185.094                 51.222                -38.928
 CID1   Fr= 1--       0.645                  0.186                 -0.058
 Raman2 Fr= 1--     115.308                 99.868                 96.232
 ROA2   Fr= 1--      33.667                 15.727                  4.104
 CID2   Fr= 1--       0.292                  0.157                  0.043
 Raman3 Fr= 1--     230.617                199.736                192.465
 ROA3   Fr= 1--     185.094                 51.222                -38.928
 CID3   Fr= 1--       0.803                  0.256                 -0.202
 RC180  Fr= 1--       0.606                  0.449                 -0.431
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00  -0.00   0.00    -0.00   0.00  -0.00     0.00   0.00  -0.00
     2   6     0.00  -0.00  -0.00     0.00   0.00  -0.00    -0.00   0.00  -0.00
     3   6    -0.00  -0.00   0.00    -0.00  -0.01   0.00     0.00   0.00  -0.00
     4   6     0.00   0.00  -0.00     0.00   0.00  -0.00     0.00   0.00  -0.00
     5   6     0.03  -0.06   0.01     0.00  -0.00   0.00     0.03  -0.05   0.01
     6   6     0.02   0.05  -0.01    -0.00  -0.00   0.00    -0.03  -0.06   0.01
     7   6     0.00   0.00  -0.00    -0.04  -0.07   0.02     0.00   0.00  -0.00
     8   1     0.01   0.01  -0.00     0.04   0.07  -0.02    -0.02  -0.04   0.01
     9   1    -0.41   0.65  -0.09    -0.01   0.02  -0.00    -0.33   0.52  -0.07
    10   1    -0.28  -0.54   0.12     0.01   0.02  -0.00     0.36   0.67  -0.15
    11   6     0.00  -0.00   0.00    -0.00  -0.00   0.00     0.00  -0.00   0.00
    12   6     0.00  -0.00   0.00     0.00  -0.00   0.00     0.00  -0.00  -0.00
    13   6    -0.00   0.00  -0.00    -0.00  -0.00  -0.00    -0.00   0.00   0.00
    14   1    -0.01   0.01  -0.00    -0.00   0.00  -0.00    -0.01   0.01  -0.00
    15   1    -0.00   0.01  -0.00    -0.00   0.00  -0.00    -0.00   0.00  -0.00
    16   1    -0.01   0.00   0.00    -0.00   0.00  -0.00    -0.00  -0.00   0.00
    17   1     0.00   0.00   0.00     0.00   0.00   0.00     0.00   0.00   0.00
    18   8     0.00  -0.00   0.00     0.00   0.00   0.00    -0.00  -0.00  -0.00
    19   8     0.00   0.00   0.00    -0.00   0.00   0.00     0.00   0.00  -0.00
    20   1    -0.00  -0.00   0.00     0.00  -0.00  -0.00    -0.00  -0.00   0.00
    21   6     0.00  -0.00   0.00    -0.01   0.02  -0.00     0.00  -0.00   0.00
    22   6    -0.00   0.00  -0.00    -0.00   0.00  -0.00     0.00  -0.00   0.00
    23   6    -0.00  -0.00   0.00    -0.00  -0.00   0.00     0.00   0.00  -0.00
    24   8     0.00  -0.00   0.00    -0.00  -0.00   0.00     0.00   0.00  -0.00
    25   6    -0.00  -0.00   0.00     0.00   0.00  -0.00    -0.00   0.00   0.00
    26   1    -0.00  -0.01   0.00     0.43   0.81  -0.18    -0.01  -0.02   0.00
    27   1    -0.00   0.00  -0.00     0.18  -0.28   0.04    -0.01   0.01  -0.00
    28   1     0.01   0.02  -0.00     0.01   0.02  -0.00    -0.02  -0.04   0.01
    29   1    -0.00   0.00  -0.00     0.00  -0.00   0.00     0.00  -0.00   0.00
    30   1     0.00  -0.00  -0.00    -0.00   0.00  -0.00     0.00  -0.00  -0.00
    31   1    -0.00   0.00   0.00    -0.00  -0.00  -0.00     0.00  -0.00  -0.00
                     85                     86                     87
                      A                      A                      A
 Frequencies --   3200.3067              3206.0031              3715.3566
 Red. masses --      1.0939                 1.0892                 1.0650
 Frc consts  --      6.6013                 6.5963                 8.6619
 IR Inten    --      4.7939                 8.9580               134.5524
 RamAct Fr= 1--    197.7533                87.0297               205.8379
  Dep-P Fr= 1--      0.2109                 0.2508                 0.2236
  Dep-U Fr= 1--      0.3483                 0.4011                 0.3655
 Alpha2 Fr= 1--      2.6088                 1.0290                 2.6237
 Beta2  Fr= 1--     11.4796                 5.8176                12.5389
 AlphaG Fr= 1--      0.0203                -0.0222                -3.6752
 Gamma2 Fr= 1--     -0.1919                -0.3040               -39.9066
 Delta2 Fr= 1--      0.5850                -0.0415                 0.1962
 Raman1 Fr= 1--     791.013                348.119                823.352
 ROA1   Fr= 1--       0.295                -30.515              -3824.755
 CID1   Fr= 1--       0.000                 -0.088                 -4.645
 Raman2 Fr= 1--     137.756                 69.811                150.466
 ROA2   Fr= 1--      -9.286                 -6.966               -959.327
 CID2   Fr= 1--      -0.067                 -0.100                 -6.376
 Raman3 Fr= 1--     275.511                139.621                300.933
 ROA3   Fr= 1--       0.295                -30.515              -3824.755
 CID3   Fr= 1--       0.001                 -0.219                -12.710
 RC180  Fr= 1--      -0.303                 -0.198                 -0.269
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00   0.00  -0.00     0.00   0.00  -0.00     0.00   0.00  -0.00
     2   6     0.00   0.00  -0.00     0.00  -0.00   0.00    -0.00  -0.00  -0.00
     3   6    -0.00  -0.00   0.00     0.00   0.00  -0.00    -0.00   0.00  -0.00
     4   6     0.00   0.00   0.00     0.00   0.00  -0.00     0.00  -0.00   0.00
     5   6    -0.00   0.00  -0.00     0.00  -0.00   0.00    -0.00  -0.00   0.00
     6   6     0.00   0.00  -0.00    -0.00  -0.00   0.00    -0.00  -0.00   0.00
     7   6    -0.02  -0.02   0.01     0.00   0.00  -0.00    -0.00   0.00  -0.00
     8   1     0.01   0.01  -0.00    -0.00  -0.00   0.00    -0.00  -0.00   0.00
     9   1     0.00  -0.00   0.00    -0.01   0.01  -0.00    -0.00   0.00  -0.00
    10   1    -0.00  -0.00   0.00     0.02   0.05  -0.01     0.00   0.00  -0.00
    11   6    -0.00   0.00  -0.00     0.00  -0.00   0.00     0.00  -0.00  -0.00
    12   6    -0.00  -0.00   0.00     0.00   0.00  -0.00    -0.00  -0.00   0.00
    13   6    -0.00  -0.00  -0.00     0.00   0.00   0.00    -0.00  -0.00   0.00
    14   1     0.00  -0.00   0.00    -0.00   0.00  -0.00    -0.00   0.00  -0.00
    15   1    -0.00   0.00  -0.00     0.00  -0.00   0.00    -0.00   0.00  -0.00
    16   1     0.00   0.00  -0.00    -0.00  -0.00   0.00    -0.00   0.00   0.00
    17   1     0.00   0.00   0.00     0.00   0.00  -0.00     0.00  -0.00  -0.00
    18   8     0.00   0.00   0.00    -0.00  -0.00  -0.00     0.00   0.00  -0.00
    19   8    -0.00  -0.00   0.00     0.00   0.00  -0.00    -0.06  -0.03   0.00
    20   1     0.00   0.00  -0.00    -0.00  -0.00   0.00     0.89   0.45  -0.02
    21   6     0.05  -0.07   0.01     0.00  -0.00   0.00     0.00   0.00  -0.00
    22   6     0.00   0.00  -0.00    -0.00   0.00  -0.00    -0.00   0.00   0.00
    23   6    -0.00   0.00  -0.00    -0.04  -0.08   0.02     0.00  -0.00   0.00
    24   8    -0.00  -0.00   0.00     0.00  -0.00   0.00     0.00   0.00  -0.00
    25   6    -0.00   0.00   0.00     0.00  -0.00   0.00    -0.00  -0.00   0.00
    26   1     0.16   0.28  -0.06    -0.01  -0.02   0.00    -0.00  -0.00   0.00
    27   1    -0.52   0.78  -0.10    -0.01   0.01  -0.00     0.00  -0.00  -0.00
    28   1    -0.00  -0.01   0.00     0.45   0.86  -0.19     0.00   0.00  -0.00
    29   1     0.00   0.00  -0.00    -0.01   0.01  -0.02    -0.00   0.00  -0.00
    30   1     0.00  -0.00   0.00    -0.02   0.01  -0.00     0.00  -0.00  -0.00
    31   1     0.00   0.00   0.00    -0.00   0.01   0.02    -0.00   0.00   0.00

 -------------------
 - Thermochemistry -
 -------------------
 Temperature   298.150 Kelvin.  Pressure   1.00000 Atm.
 Atom     1 has atomic number  6 and mass  12.00000
 Atom     2 has atomic number  6 and mass  12.00000
 Atom     3 has atomic number  6 and mass  12.00000
 Atom     4 has atomic number  6 and mass  12.00000
 Atom     5 has atomic number  6 and mass  12.00000
 Atom     6 has atomic number  6 and mass  12.00000
 Atom     7 has atomic number  6 and mass  12.00000
 Atom     8 has atomic number  1 and mass   1.00783
 Atom     9 has atomic number  1 and mass   1.00783
 Atom    10 has atomic number  1 and mass   1.00783
 Atom    11 has atomic number  6 and mass  12.00000
 Atom    12 has atomic number  6 and mass  12.00000
 Atom    13 has atomic number  6 and mass  12.00000
 Atom    14 has atomic number  1 and mass   1.00783
 Atom    15 has atomic number  1 and mass   1.00783
 Atom    16 has atomic number  1 and mass   1.00783
 Atom    17 has atomic number  1 and mass   1.00783
 Atom    18 has atomic number  8 and mass  15.99491
 Atom    19 has atomic number  8 and mass  15.99491
 Atom    20 has atomic number  1 and mass   1.00783
 Atom    21 has atomic number  6 and mass  12.00000
 Atom    22 has atomic number  6 and mass  12.00000
 Atom    23 has atomic number  6 and mass  12.00000
 Atom    24 has atomic number  8 and mass  15.99491
 Atom    25 has atomic number  6 and mass  12.00000
 Atom    26 has atomic number  1 and mass   1.00783
 Atom    27 has atomic number  1 and mass   1.00783
 Atom    28 has atomic number  1 and mass   1.00783
 Atom    29 has atomic number  1 and mass   1.00783
 Atom    30 has atomic number  1 and mass   1.00783
 Atom    31 has atomic number  1 and mass   1.00783
 Molecular mass:   230.09429 amu.
 Principal axes and moments of inertia in atomic units:
                           1         2         3
     Eigenvalues --  1362.007688565.053429014.99569
           X            0.99993   0.00039  -0.01150
           Y           -0.00077   0.99945  -0.03303
           Z            0.01148   0.03303   0.99939
 This molecule is an asymmetric top.
 Rotational symmetry number  1.
 Warning -- assumption of classical behavior for rotation
           may cause significant error
 Rotational temperatures (Kelvin)      0.06359     0.01011     0.00961
 Rotational constants (GHZ):           1.32506     0.21071     0.20019
 Zero-point vibrational energy     657833.2 (Joules/Mol)
                                  157.22591 (Kcal/Mol)
 Warning -- explicit consideration of  24 degrees of freedom as
           vibrations may cause significant error
 Vibrational temperatures:     30.12    44.58    66.74   130.44   174.33
          (Kelvin)            207.38   262.16   270.99   314.24   332.36
                              372.80   412.80   477.38   516.40   576.87
                              596.47   669.91   693.32   699.45   733.35
                              768.12   777.40   831.97   869.30   915.15
                              990.82   999.58  1063.53  1119.84  1129.57
                             1180.38  1199.57  1208.91  1246.18  1267.75
                             1334.25  1363.88  1383.34  1394.61  1413.22
                             1480.52  1527.51  1570.54  1581.08  1657.07
                             1689.08  1691.43  1697.13  1718.83  1725.13
                             1758.37  1793.87  1863.03  1867.69  1874.72
                             1904.27  1922.09  1994.12  2014.79  2036.33
                             2052.94  2096.23  2123.89  2147.34  2148.31
                             2153.99  2166.87  2193.96  2226.16  2324.04
                             2376.30  2406.20  2641.24  4332.29  4336.12
                             4389.16  4413.65  4480.46  4507.88  4518.01
                             4542.37  4548.81  4567.99  4574.21  4604.53
                             4612.72  5345.57
 
 Zero-point correction=                           0.250555 (Hartree/Particle)
 Thermal correction to Energy=                    0.265801
 Thermal correction to Enthalpy=                  0.266745
 Thermal correction to Gibbs Free Energy=         0.206535
 Sum of electronic and zero-point Energies=           -767.721876
 Sum of electronic and thermal Energies=              -767.706630
 Sum of electronic and thermal Enthalpies=            -767.705686
 Sum of electronic and thermal Free Energies=         -767.765896
 
                     E (Thermal)             CV                S
                      KCal/Mol        Cal/Mol-Kelvin    Cal/Mol-Kelvin
 Total                  166.793             58.690            126.722
 Electronic               0.000              0.000              0.000
 Translational            0.889              2.981             42.202
 Rotational               0.889              2.981             33.019
 Vibrational            165.015             52.728             51.501
 Vibration     1          0.593              1.986              6.544
 Vibration     2          0.594              1.984              5.766
 Vibration     3          0.595              1.979              4.966
 Vibration     4          0.602              1.956              3.646
 Vibration     5          0.609              1.932              3.082
 Vibration     6          0.616              1.909              2.748
 Vibration     7          0.630              1.864              2.306
 Vibration     8          0.633              1.856              2.244
 Vibration     9          0.646              1.813              1.972
 Vibration    10          0.653              1.794              1.871
 Vibration    11          0.668              1.747              1.668
 Vibration    12          0.684              1.698              1.492
 Vibration    13          0.714              1.612              1.251
 Vibration    14          0.734              1.557              1.127
 Vibration    15          0.767              1.468              0.959
 Vibration    16          0.778              1.439              0.911
 Vibration    17          0.823              1.326              0.750
 Vibration    18          0.838              1.290              0.705
 Vibration    19          0.842              1.281              0.694
 Vibration    20          0.865              1.228              0.634
 Vibration    21          0.889              1.175              0.579
 Vibration    22          0.895              1.161              0.565
 Vibration    23          0.935              1.078              0.489
 Vibration    24          0.963              1.023              0.443
                       Q            Log10(Q)             Ln(Q)
 Total Bot       0.100089D-94        -94.999612       -218.744691
 Total V=0       0.176923D+21         20.247783         46.622244
 Vib (Bot)       0.198743-109       -109.701708       -252.597518
 Vib (Bot)    1  0.989514D+01          0.995422          2.292044
 Vib (Bot)    2  0.668240D+01          0.824933          1.899477
 Vib (Bot)    3  0.445830D+01          0.649170          1.494768
 Vib (Bot)    4  0.226757D+01          0.355560          0.818708
 Vib (Bot)    5  0.168618D+01          0.226905          0.522467
 Vib (Bot)    6  0.140915D+01          0.148957          0.342986
 Vib (Bot)    7  0.110147D+01          0.041973          0.096646
 Vib (Bot)    8  0.106325D+01          0.026637          0.061333
 Vib (Bot)    9  0.906260D+00         -0.042747         -0.098429
 Vib (Bot)   10  0.852239D+00         -0.069439         -0.159888
 Vib (Bot)   11  0.749938D+00         -0.124975         -0.287765
 Vib (Bot)   12  0.667639D+00         -0.175459         -0.404008
 Vib (Bot)   13  0.562518D+00         -0.249863         -0.575332
 Vib (Bot)   14  0.511049D+00         -0.291537         -0.671289
 Vib (Bot)   15  0.444234D+00         -0.352388         -0.811403
 Vib (Bot)   16  0.425296D+00         -0.371309         -0.854970
 Vib (Bot)   17  0.363603D+00         -0.439372         -1.011691
 Vib (Bot)   18  0.346509D+00         -0.460286         -1.059848
 Vib (Bot)   19  0.342211D+00         -0.465706         -1.072327
 Vib (Bot)   20  0.319660D+00         -0.495311         -1.140496
 Vib (Bot)   21  0.298484D+00         -0.525079         -1.209040
 Vib (Bot)   22  0.293137D+00         -0.532930         -1.227116
 Vib (Bot)   23  0.263988D+00         -0.578416         -1.331852
 Vib (Bot)   24  0.246073D+00         -0.608936         -1.402126
 Vib (V=0)       0.351308D+06          5.545687         12.769417
 Vib (V=0)    1  0.104078D+02          1.017357          2.342552
 Vib (V=0)    2  0.720108D+01          0.857398          1.974231
 Vib (V=0)    3  0.498625D+01          0.697774          1.606685
 Vib (V=0)    4  0.282204D+01          0.450563          1.037460
 Vib (V=0)    5  0.225875D+01          0.353869          0.814813
 Vib (V=0)    6  0.199523D+01          0.299992          0.690757
 Vib (V=0)    7  0.170964D+01          0.232906          0.536285
 Vib (V=0)    8  0.167495D+01          0.224002          0.515783
 Vib (V=0)    9  0.153504D+01          0.186120          0.428556
 Vib (V=0)   10  0.148808D+01          0.172628          0.397490
 Vib (V=0)   11  0.140134D+01          0.146542          0.337426
 Vib (V=0)   12  0.133411D+01          0.125192          0.288265
 Vib (V=0)   13  0.125261D+01          0.097817          0.225232
 Vib (V=0)   14  0.121496D+01          0.084563          0.194713
 Vib (V=0)   15  0.116884D+01          0.067754          0.156010
 Vib (V=0)   16  0.115641D+01          0.063113          0.145322
 Vib (V=0)   17  0.111823D+01          0.048531          0.111746
 Vib (V=0)   18  0.110833D+01          0.044670          0.102856
 Vib (V=0)   19  0.110589D+01          0.043714          0.100655
 Vib (V=0)   20  0.109345D+01          0.038799          0.089338
 Vib (V=0)   21  0.108232D+01          0.034354          0.079104
 Vib (V=0)   22  0.107959D+01          0.033260          0.076585
 Vib (V=0)   23  0.106541D+01          0.027517          0.063361
 Vib (V=0)   24  0.105727D+01          0.024187          0.055692
 Electronic      0.100000D+01          0.000000          0.000000
 Translational   0.137187D+09          8.137313         18.736855
 Rotational      0.367099D+07          6.564783         15.115972
 
                                                          ROA calculations.
                                                             IR Spectrum
 
     3            3333333333333                             111111111111111111111111111111111                                        
     7            2211111110000                             866655544444444333322221111110000999998888877766665555444443322221111    
     1            0077654316511                             3751420999752108320994299877599628664286432873983074318861053853188429432
     5            6095270348141                             6225756732677506643857295064292292918716040589596480406265192791882411611
 
     X            XXXXXXXXXXXXX                             XXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXX
     X                     X  X                             XXX  XX     X   X XXXX    X    X      X           X                      
     X                                                      XXX  X      X   X  XXX         X                                         
     X                                                      XXX         X   X  XXX                                                   
     X                                                      X               X  XXX                                                   
     X                                                      X               X  XXX                                                   
     X                                                      X               X  X X                                                   
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 ***** Axes restored to original set *****
 -------------------------------------------------------------------
 Center     Atomic                   Forces (Hartrees/Bohr)
 Number     Number              X              Y              Z
 -------------------------------------------------------------------
      1        6          -0.000002741    0.000003986   -0.000001464
      2        6          -0.000006029    0.000000575    0.000000669
      3        6           0.000006321    0.000003576    0.000003242
      4        6           0.000004593   -0.000009776   -0.000000919
      5        6          -0.000004242    0.000000805    0.000001953
      6        6           0.000006877    0.000000063   -0.000000546
      7        6           0.000006975   -0.000003671   -0.000000612
      8        1          -0.000000070   -0.000001242   -0.000001156
      9        1           0.000001020    0.000000742   -0.000001219
     10        1          -0.000001695    0.000000871   -0.000000588
     11        6          -0.000016424   -0.000003783    0.000013757
     12        6          -0.000008382   -0.000000266   -0.000015311
     13        6           0.000035952    0.000008978   -0.000031247
     14        1           0.000000527    0.000002278   -0.000002293
     15        1           0.000005772   -0.000000656    0.000003258
     16        1           0.000000724    0.000001247   -0.000005115
     17        1           0.000003755   -0.000000511   -0.000000968
     18        8          -0.000021143   -0.000009846    0.000008178
     19        8          -0.000012453    0.000004106    0.000027311
     20        1          -0.000000330    0.000000848   -0.000003207
     21        6           0.000001932   -0.000006432    0.000002697
     22        6          -0.000016271    0.000012808    0.000004250
     23        6           0.000022271   -0.000010195   -0.000000666
     24        8           0.000017930    0.000017841   -0.000011625
     25        6          -0.000032317   -0.000031672    0.000012631
     26        1          -0.000001233    0.000000018    0.000000455
     27        1           0.000000094    0.000001054    0.000000761
     28        1           0.000007847    0.000004028   -0.000001140
     29        1           0.000000629    0.000005584   -0.000002903
     30        1           0.000001229    0.000001491    0.000001260
     31        1          -0.000001116    0.000007152    0.000000561
 -------------------------------------------------------------------
 Cartesian Forces:  Max     0.000035952 RMS     0.000010061
 End of FrcOut F.D. properties on file   721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.088559
 Property number 1 -- Alpha(-w,w) frequency  1    0.088559:
                 1             2             3 
      1   0.305334D+03 -0.113324D+02 -0.102239D+02
      2  -0.113324D+02  0.180890D+03 -0.813863D+01
      3  -0.102239D+02 -0.813863D+01  0.125713D+03
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.088559:
                 1             2             3 
      1  -0.108424D+02  0.197126D+02 -0.161786D+02
      2  -0.261969D+02 -0.139401D+02 -0.309470D+02
      3   0.497642D+02 -0.591572D+02  0.223118D+02
 Property number 4 -- D-Q polarizability frequency  1    0.088559:
                 1             2             3 
      1   0.337279D+03 -0.958577D+02 -0.143269D+02
      2  -0.149368D+03  0.785204D+02 -0.120068D+02
      3  -0.187911D+03  0.173373D+02  0.263338D+02
      4  -0.167454D+02  0.125654D+03 -0.456790D+02
      5   0.461343D+02 -0.543253D+02 -0.649374D+02
      6  -0.257046D+02  0.408167D+02  0.259748D+02
 End of FrcOut F.D. properties on file   722 Mask=       B NFrqRd=     1 NDeriv=    93 ND12= 1 LenFil=    3351:
 Frequencies=    0.088559
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1  -0.382423D+02  0.738183D+01  0.622637D+00 -0.370033D+02  0.111614D+02
      2   0.738183D+01 -0.326658D+01  0.178737D-01  0.111614D+02 -0.110041D+02
      3   0.622637D+00  0.178737D-01  0.651725D-01  0.126616D+00  0.122925D+01
                 6             7             8             9            10 
      1   0.126616D+00  0.970418D+01 -0.281501D+01 -0.917000D+00  0.467244D+02
      2   0.122925D+01 -0.281501D+01  0.182431D+01 -0.138991D+01 -0.101600D+02
      3   0.408872D+00 -0.917000D+00 -0.138991D+01  0.613617D+00 -0.840931D+00
                11            12            13            14            15 
      1  -0.101600D+02 -0.840931D+00  0.346691D+02 -0.966766D+01 -0.242243D-01
      2   0.695881D+01 -0.738552D+00 -0.966766D+01  0.892199D+01 -0.857524D+00
      3  -0.738552D+00 -0.435106D+00 -0.242243D-01 -0.857524D+00 -0.281675D+00
                16            17            18            19            20 
      1  -0.942915D+01  0.279372D+01  0.152344D+01  0.344181D+02 -0.734292D+01
      2   0.279372D+01 -0.174243D+01  0.121336D+01 -0.734292D+01  0.469414D+01
      3   0.152344D+01  0.121336D+01 -0.400497D+00 -0.170709D+00 -0.533291D+00
                21            22            23            24            25 
      1  -0.170709D+00 -0.253477D+02  0.405677D+01 -0.306657D+00  0.323863D+01
      2  -0.533291D+00  0.405677D+01 -0.496721D+01 -0.211153D+00 -0.852534D+00
      3   0.111103D+00 -0.306657D+00 -0.211153D+00 -0.163846D+01 -0.111612D+01
                26            27            28            29            30 
      1  -0.852534D+00 -0.111612D+01 -0.480606D+02  0.585613D+01  0.512899D+00
      2  -0.411735D+00 -0.270948D+01  0.585613D+01 -0.316152D+01 -0.219141D+00
      3  -0.270948D+01  0.163991D+01  0.512899D+00 -0.219141D+00 -0.203640D+01
                31            32            33            34            35 
      1   0.134991D+02 -0.210560D+01 -0.117798D+01 -0.430311D+01 -0.726722D+00
      2  -0.210560D+01  0.907892D+01 -0.130779D+01 -0.726722D+00 -0.811404D+00
      3  -0.117798D+01 -0.130779D+01  0.242189D+00 -0.644905D+01  0.103952D+01
                36            37            38            39            40 
      1  -0.644905D+01 -0.644337D+00 -0.564778D-01  0.146282D+00  0.106320D+02
      2   0.103952D+01 -0.564778D-01 -0.945651D+01  0.150822D+01 -0.165487D+01
      3   0.390073D+00  0.146282D+00  0.150822D+01 -0.216615D+01 -0.499378D+00
                41            42            43            44            45 
      1  -0.165487D+01 -0.499378D+00 -0.246964D+01 -0.424720D+00 -0.478025D+01
      2  -0.120564D+01  0.125433D+01 -0.424720D+00  0.224152D+01  0.322866D+01
      3   0.125433D+01  0.147594D+01 -0.478025D+01  0.322866D+01 -0.794696D+00
                46            47            48            49            50 
      1   0.605140D+01 -0.201857D+01  0.152091D+00  0.185964D+01 -0.203418D+01
      2  -0.201857D+01  0.754037D+01 -0.484001D+00 -0.203418D+01  0.205719D+00
      3   0.152091D+00 -0.484001D+00  0.209453D+01  0.558825D+00  0.101842D+01
                51            52            53            54            55 
      1   0.558825D+00 -0.389870D+00  0.803244D+00  0.990982D+00 -0.113902D+02
      2   0.101842D+01  0.803244D+00  0.977798D+00  0.370825D+01  0.420332D+01
      3   0.786499D+00  0.990982D+00  0.370825D+01 -0.181713D+01 -0.222033D+00
                56            57            58            59            60 
      1   0.420332D+01 -0.222033D+00  0.271846D+01  0.117538D+00 -0.677608D+00
      2  -0.104646D+02  0.107997D+01  0.117538D+00  0.136339D+01 -0.116489D+01
      3   0.107997D+01 -0.217057D+01 -0.677608D+00 -0.116489D+01 -0.858768D+00
                61            62            63            64            65 
      1  -0.893019D-01 -0.885583D+00 -0.145924D+01 -0.240018D+01 -0.232857D+01
      2  -0.885583D+00 -0.808272D+00 -0.336950D+01 -0.232857D+01 -0.144314D+01
      3  -0.145924D+01 -0.336950D+01  0.194018D+01  0.537272D+00  0.315755D+00
                66            67            68            69            70 
      1   0.537272D+00 -0.340286D+01 -0.291593D+01  0.758110D+00  0.891476D+00
      2   0.315755D+00 -0.291593D+01 -0.508949D+01  0.100763D+01  0.703535D+00
      3  -0.507716D+00  0.758110D+00  0.100763D+01 -0.103929D+01 -0.242616D+00
                71            72            73            74            75 
      1   0.703535D+00 -0.242616D+00 -0.465599D+01  0.319760D+01 -0.232317D+00
      2   0.948195D+00 -0.370192D+00  0.319760D+01 -0.346697D+01  0.352758D+00
      3  -0.370192D+00  0.294375D+00 -0.232317D+00  0.352758D+00 -0.389111D+00
                76            77            78            79            80 
      1   0.362079D+01 -0.455267D+01  0.663214D+00 -0.287648D+00  0.726407D+00
      2  -0.455267D+01  0.786039D+01 -0.873308D+00  0.726407D+00 -0.110956D+01
      3   0.663214D+00 -0.873308D+00  0.930348D+00  0.362800D+00  0.315545D+00
                81            82            83            84            85 
      1   0.362800D+00  0.174466D+01  0.216789D+01 -0.476905D+00  0.118870D+01
      2   0.315545D+00  0.216789D+01  0.329518D+01 -0.659372D+00  0.250464D+01
      3  -0.242551D+00 -0.476905D+00 -0.659372D+00  0.488750D+00 -0.443494D+00
                86            87            88            89            90 
      1   0.250464D+01 -0.443494D+00 -0.293693D+00 -0.539716D+00  0.204288D+00
      2   0.895106D+01 -0.157451D+01 -0.539716D+00 -0.185190D+01  0.452302D+00
      3  -0.157451D+01  0.120077D+01  0.204288D+00  0.452302D+00 -0.305210D+00
                91            92            93            94            95 
      1   0.172854D+02 -0.169148D+01  0.418339D+00  0.447737D+01  0.798903D+00
      2  -0.169148D+01  0.143521D+01  0.667561D+00  0.798903D+00 -0.346642D+01
      3   0.418339D+00  0.667561D+00  0.283354D+01  0.298556D+00  0.177041D+01
                96            97            98            99           100 
      1   0.298556D+00 -0.238127D+01  0.124575D+01  0.767058D+01  0.853031D+01
      2   0.177041D+01  0.124575D+01  0.162137D+01 -0.865543D-01 -0.702382D+00
      3   0.897722D+00  0.767058D+01 -0.865543D-01 -0.124810D+01 -0.189405D+01
               101           102           103           104           105 
      1  -0.702382D+00 -0.189405D+01 -0.244005D+01 -0.165807D+01 -0.181258D+00
      2  -0.163929D+01 -0.527073D+00 -0.165807D+01  0.145797D+01 -0.347262D+01
      3  -0.527073D+00 -0.228682D+01 -0.181258D+00 -0.347262D+01 -0.135457D+01
               106           107           108           109           110 
      1   0.579395D+01 -0.909141D+00 -0.505870D+01  0.645687D+01  0.368949D+01
      2  -0.909141D+00 -0.244243D+01 -0.643390D+00  0.368949D+01  0.113172D+01
      3  -0.505870D+01 -0.643390D+00  0.227461D+01 -0.112451D+01 -0.132051D+00
               111           112           113           114           115 
      1  -0.112451D+01  0.405138D+00  0.124499D+01 -0.872807D+00 -0.882190D+01
      2  -0.132051D+00  0.124499D+01  0.450678D+00 -0.700611D+00 -0.147353D+01
      3  -0.102974D+01 -0.872807D+00 -0.700611D+00 -0.293159D+00 -0.423660D+01
               116           117           118           119           120 
      1  -0.147353D+01 -0.423660D+01 -0.395671D+00  0.199830D+01 -0.610570D+00
      2  -0.163591D+01 -0.200999D+00  0.199830D+01 -0.185760D+01 -0.148214D-02
      3  -0.200999D+00  0.420125D+00 -0.610570D+00 -0.148214D-02 -0.122496D+01
               121           122           123           124           125 
      1   0.450233D+01 -0.223532D+01  0.143355D+00 -0.134899D+01  0.131685D+00
      2  -0.223532D+01  0.594753D+01 -0.913915D+00  0.131685D+00 -0.132070D+01
      3   0.143355D+00 -0.913915D+00  0.146593D+01 -0.142301D+01  0.102525D+01
               126           127           128           129           130 
      1  -0.142301D+01  0.212552D+00 -0.562019D+00  0.102106D+00 -0.219816D+01
      2   0.102525D+01 -0.562019D+00  0.769162D+00 -0.281816D+00  0.332822D-01
      3  -0.425021D+00  0.102106D+00 -0.281816D+00  0.127572D+01  0.641258D+00
               131           132           133           134           135 
      1   0.332822D-01  0.641258D+00  0.342755D+00  0.702027D-01  0.150360D+00
      2  -0.399949D+01  0.222098D+01  0.702027D-01  0.160918D+01 -0.115737D+01
      3   0.222098D+01 -0.281915D+01  0.150360D+00 -0.115737D+01  0.182888D+01
               136           137           138           139           140 
      1  -0.153280D+02  0.803814D+00  0.375939D+01  0.480747D+00 -0.112161D+01
      2   0.803814D+00 -0.952637D+00 -0.322090D+00 -0.112161D+01  0.661136D-01
      3   0.375939D+01 -0.322090D+00 -0.261647D+01 -0.248393D+00  0.673813D+00
               141           142           143           144           145 
      1  -0.248393D+00  0.115740D+01  0.103934D+00 -0.115365D+01  0.137659D-02
      2   0.673813D+00  0.103934D+00  0.128193D+00  0.825634D-01  0.725736D+00
      3   0.151180D+00 -0.115365D+01  0.825634D-01  0.391991D+00  0.621068D+00
               146           147           148           149           150 
      1   0.725736D+00  0.621068D+00  0.158749D+01  0.871942D-01 -0.321257D+00
      2   0.104210D+01  0.845519D+00  0.871942D-01  0.302481D+01  0.279788D+01
      3   0.845519D+00  0.206762D+01 -0.321257D+00  0.279788D+01  0.372082D+01
               151           152           153           154           155 
      1   0.318941D+00  0.477332D-01  0.164173D+00 -0.176418D+02 -0.463765D+01
      2   0.477332D-01  0.215631D+01  0.229829D+01 -0.463765D+01 -0.256877D+01
      3   0.164173D+00  0.229829D+01  0.448918D+01  0.465103D+00 -0.460137D+00
               156           157           158           159           160 
      1   0.465103D+00 -0.733605D+01 -0.540579D+01  0.403539D+00  0.838451D+00
      2  -0.460137D+00 -0.540579D+01 -0.398731D+01  0.268463D+00  0.492983D+00
      3  -0.267043D+01  0.403539D+00  0.268463D+00 -0.125761D+01 -0.214078D+01
               161           162           163           164           165 
      1   0.492983D+00 -0.214078D+01 -0.127575D+02 -0.287082D+01 -0.333635D+01
      2   0.109556D+01 -0.942459D+00 -0.287082D+01 -0.308684D+00  0.579379D-01
      3  -0.942459D+00  0.137480D+01 -0.333635D+01  0.579379D-01 -0.120067D+01
               166           167           168           169           170 
      1  -0.634254D+01 -0.708620D+00 -0.884966D+00  0.138549D+01  0.449165D+00
      2  -0.708620D+00 -0.859578D+00 -0.172206D+01  0.449165D+00 -0.365020D+00
      3  -0.884966D+00 -0.172206D+01 -0.197126D+01 -0.599871D+00 -0.986633D+00
               171           172           173           174           175 
      1  -0.599871D+00  0.108804D+02  0.235223D+01  0.141245D+01  0.734614D+01
      2  -0.986633D+00  0.235223D+01  0.683644D+00  0.399594D+00  0.813243D+00
      3  -0.742000D+01  0.141245D+01  0.399594D+00  0.291756D+01  0.125380D+01
               176           177           178           179           180 
      1   0.813243D+00  0.125380D+01  0.457280D+01  0.519297D+00  0.187132D+01
      2   0.354471D+00 -0.565482D+00  0.519297D+00 -0.105397D+01  0.542913D+00
      3  -0.565482D+00  0.150480D+01  0.187132D+01  0.542913D+00 -0.128351D+01
               181           182           183           184           185 
      1   0.107404D+02 -0.132964D+01 -0.782298D-01 -0.751610D+01  0.153696D+01
      2  -0.132964D+01  0.108242D+02 -0.189436D+01  0.153696D+01  0.285408D+01
      3  -0.782298D-01 -0.189436D+01  0.243232D+01  0.831133D+00 -0.164476D+01
               186           187           188           189           190 
      1   0.831133D+00  0.118755D+01  0.337423D+00  0.427407D+01  0.305103D+02
      2  -0.164476D+01  0.337423D+00 -0.268740D+01 -0.333896D+01 -0.491250D+01
      3  -0.132939D+01  0.427407D+01 -0.333896D+01  0.913278D+00 -0.247952D+00
               191           192           193           194           195 
      1  -0.491250D+01 -0.247952D+00 -0.218504D+02  0.253689D+01  0.203485D+01
      2   0.551709D+01 -0.142298D+00  0.253689D+01 -0.137256D+02  0.199664D+01
      3  -0.142298D+00  0.367377D+01  0.203485D+01  0.199664D+01 -0.148401D+01
               196           197           198           199           200 
      1   0.277004D+01  0.934256D+00  0.615730D+01 -0.373288D+02  0.874748D+01
      2   0.934256D+00  0.155789D+01 -0.194240D+01  0.874748D+01 -0.824333D+01
      3   0.615730D+01 -0.194240D+01 -0.227559D+00  0.685133D+00  0.134636D+01
               201           202           203           204           205 
      1   0.685133D+00  0.247232D+02 -0.317916D+01 -0.679974D+00 -0.176805D+01
      2   0.134636D+01 -0.317916D+01  0.673844D+01  0.458363D-01  0.339481D+00
      3  -0.509020D-01 -0.679974D+00  0.458363D-01  0.246761D+01  0.548956D+00
               206           207           208           209           210 
      1   0.339481D+00  0.548956D+00 -0.383779D+01  0.376876D-01  0.176863D+00
      2   0.662341D+00  0.336561D+01  0.376876D-01 -0.249131D+01  0.360816D+00
      3   0.336561D+01 -0.180863D+01  0.176863D+00  0.360816D+00 -0.436200D+00
               211           212           213           214           215 
      1   0.147666D+01  0.251590D+01 -0.346126D+00  0.727286D-01 -0.386172D+00
      2   0.251590D+01 -0.182368D+01  0.309512D+00 -0.386172D+00  0.342599D+00
      3  -0.346126D+00  0.309512D+00  0.119428D+01  0.664090D+00 -0.534088D+00
               216           217           218           219           220 
      1   0.664090D+00 -0.131059D+01  0.212587D+01 -0.306245D+00  0.144718D+01
      2  -0.534088D+00  0.212587D+01  0.236574D+01 -0.654738D+00 -0.210347D+01
      3  -0.999805D-01 -0.306245D+00 -0.654738D+00  0.138553D+01 -0.487994D+00
               221           222           223           224           225 
      1  -0.210347D+01 -0.487994D+00 -0.437516D+00 -0.402606D+00 -0.170865D+01
      2   0.234279D+00 -0.181752D+01 -0.402606D+00 -0.173282D+01 -0.362376D+01
      3  -0.181752D+01 -0.570916D+01 -0.170865D+01 -0.362376D+01  0.269056D+01
               226           227           228           229           230 
      1  -0.141271D+01 -0.176131D+01  0.416267D+00 -0.705736D+00 -0.200612D+01
      2  -0.176131D+01 -0.334299D+01  0.664265D+00 -0.200612D+01 -0.860742D+01
      3   0.416267D+00  0.664265D+00 -0.503549D+00  0.398982D+00  0.152277D+01
               231           232           233           234           235 
      1   0.398982D+00  0.261573D+00  0.501505D+00  0.108169D+00  0.479813D+01
      2   0.152277D+01  0.501505D+00  0.168918D+01 -0.574330D+00 -0.385898D+01
      3  -0.121879D+01  0.108169D+00 -0.574330D+00  0.332051D+00  0.395094D+00
               236           237           238           239           240 
      1  -0.385898D+01  0.395094D+00 -0.454522D+01  0.527480D+01 -0.786694D+00
      2   0.411722D+01 -0.409179D+00  0.527480D+01 -0.813675D+01  0.934620D+00
      3  -0.409179D+00  0.597430D+00 -0.786694D+00  0.934620D+00 -0.103349D+01
               241           242           243           244           245 
      1   0.459785D+00 -0.750771D+00 -0.215282D+00  0.278185D+01  0.248024D+01
      2  -0.750771D+00  0.111018D+01 -0.333507D+00  0.248024D+01  0.143060D+01
      3  -0.215282D+00 -0.333507D+00  0.263176D+00 -0.624133D+00 -0.386630D+00
               246           247           248           249           250 
      1  -0.624133D+00  0.413182D+01  0.302788D+01 -0.769917D+00 -0.946205D+00
      2  -0.386630D+00  0.302788D+01  0.525990D+01 -0.105308D+01 -0.726894D+00
      3   0.330901D+00 -0.769917D+00 -0.105308D+01  0.877074D+00  0.196383D+00
               251           252           253           254           255 
      1  -0.726894D+00  0.196383D+00 -0.114346D+01 -0.487717D+00 -0.339105D+00
      2  -0.109831D+01  0.108544D+00 -0.487717D+00 -0.179886D+00  0.131988D+00
      3   0.108544D+00 -0.133344D+00 -0.339105D+00  0.131988D+00 -0.116663D+01
               256           257           258           259           260 
      1   0.909192D+00  0.143549D+01 -0.102321D+01 -0.388012D+01 -0.139048D+01
      2   0.143549D+01  0.137699D+01 -0.145652D+01 -0.139048D+01 -0.143559D+01
      3  -0.102321D+01 -0.145652D+01  0.255328D+01  0.309092D+01  0.225118D+01
               261           262           263           264           265 
      1   0.309092D+01  0.158120D+02 -0.100902D+01 -0.711428D+00 -0.372271D+01
      2   0.225118D+01 -0.100902D+01  0.100508D+01  0.119174D+00  0.139846D+01
      3  -0.655716D+01 -0.711428D+00  0.119174D+00  0.121315D+01  0.255633D+00
               266           267           268           269           270 
      1   0.139846D+01  0.255633D+00 -0.222882D+00  0.101116D+00  0.146738D+01
      2  -0.746586D+00  0.538106D-01  0.101116D+00  0.144775D+00  0.172687D+00
      3   0.538106D-01 -0.195195D+00  0.146738D+01  0.172687D+00 -0.326188D+00
               271           272           273           274           275 
      1  -0.398226D+00 -0.375923D-01  0.792470D+00  0.273586D+01  0.280480D+01
      2  -0.375923D-01  0.335888D-01 -0.215785D-01  0.280480D+01  0.347256D+01
      3   0.792470D+00 -0.215785D-01 -0.595660D+00  0.136406D+01  0.223138D+01
               276           277           278           279 
      1   0.136406D+01  0.407360D+01  0.198244D+01  0.205562D+01
      2   0.223138D+01  0.198244D+01  0.239806D+01  0.239887D+01
      3   0.260666D+01  0.205562D+01  0.239887D+01  0.323278D+01
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1   0.358596D+01  0.183944D+01 -0.107242D+01  0.353732D+01 -0.201849D+01
      2   0.810913D+01  0.321203D+01 -0.731761D+00  0.820097D+01 -0.513498D+01
      3   0.831303D+01  0.208953D+02 -0.467476D+01  0.274105D+02 -0.244615D+02
                 6             7             8             9            10 
      1   0.142953D+00 -0.605479D+01  0.868122D+01 -0.133814D+01 -0.798724D+00
      2   0.275979D+01 -0.206744D+02  0.412161D+01  0.597896D-01 -0.617304D+01
      3   0.276273D+01 -0.133251D+01  0.196496D+01  0.531604D+00  0.274681D+02
                11            12            13            14            15 
      1   0.306555D+01 -0.925616D+00 -0.115063D+01  0.103235D+01  0.935107D+00
      2   0.443868D+01 -0.687757D+01  0.293798D+00 -0.380610D+01  0.489538D+00
      3   0.190270D+02 -0.415291D+01  0.540168D+02 -0.314462D+02  0.272731D+01
                16            17            18            19            20 
      1  -0.622784D+01  0.870074D+01 -0.135533D+01 -0.416254D+01 -0.442406D+00
      2  -0.206058D+02  0.376779D+01  0.812526D+00 -0.908990D+01 -0.251206D+01
      3  -0.763244D+01  0.327197D+01 -0.171681D+00 -0.410765D+01 -0.220110D+02
                21            22            23            24            25 
      1   0.578406D+00 -0.349689D+00  0.313916D+00 -0.131069D+01 -0.817565D+01
      2   0.102784D+01  0.189075D+01  0.160762D+01  0.792082D+00 -0.176501D+02
      3   0.471207D+01 -0.534337D+01  0.474638D+01 -0.188884D+01  0.640288D+01
                26            27            28            29            30 
      1   0.436954D+01 -0.121856D+01  0.499612D+00  0.155442D+01  0.391240D+00
      2   0.761274D+01 -0.858299D+00  0.685662D+01  0.154288D+01  0.722882D-01
      3  -0.206701D+01 -0.633271D+00 -0.241485D+02  0.111678D+02 -0.135899D+01
                31            32            33            34            35 
      1   0.529944D+01  0.364482D+01  0.121072D+01  0.438061D+01  0.127651D+02
      2  -0.514764D-01  0.653871D+00  0.545835D+00 -0.142064D+02  0.775659D+00
      3   0.302564D+02 -0.358298D-01 -0.158742D+01 -0.169951D+01 -0.324213D+01
                36            37            38            39            40 
      1  -0.205064D+01  0.200397D+00 -0.116986D+00  0.582735D+01  0.135909D+01
      2   0.117740D+01 -0.346203D+01 -0.101337D+01  0.762263D+00 -0.299439D+01
      3  -0.247581D+01 -0.937741D+01 -0.337715D+01  0.975922D-01  0.121287D+02
                41            42            43            44            45 
      1  -0.976527D+00 -0.269740D+01  0.162122D+02  0.136415D+01 -0.397094D+00
      2  -0.322422D+01 -0.163064D+01 -0.998419D+01 -0.659364D+01  0.230135D+01
      3  -0.674568D+01  0.340431D+00 -0.341448D+01  0.168226D+01 -0.501447D+01
                46            47            48            49            50 
      1  -0.100737D+01 -0.193102D+01 -0.573292D+01 -0.238023D+01  0.659738D+00
      2   0.350155D+01 -0.308668D+01  0.220812D+01 -0.545794D+01  0.509391D+01
      3   0.227824D+02 -0.213657D+02  0.329492D+01 -0.889279D+01  0.229905D+02
                51            52            53            54            55 
      1  -0.231881D+01 -0.107529D+02 -0.212407D+01  0.287842D+01  0.151445D+01
      2  -0.116640D+01 -0.152119D+02  0.161581D+01  0.134886D+01  0.555707D+01
      3  -0.268262D+01  0.370145D+01 -0.227947D+01  0.495902D+01  0.320007D+02
                56            57            58            59            60 
      1  -0.385850D+01 -0.587034D+01 -0.219391D+01  0.131215D+01 -0.188531D+01
      2  -0.380248D+01 -0.409595D+01 -0.547123D+01  0.360590D+01 -0.195655D+01
      3  -0.113477D+02  0.234048D+01 -0.662193D+01  0.232654D+02 -0.137645D+01
                61            62            63            64            65 
      1  -0.107867D+02 -0.148018D+01  0.205241D+01 -0.297478D+00 -0.557258D+00
      2  -0.205429D+02 -0.161455D+01  0.492118D+01  0.113783D+01  0.746595D+00
      3   0.451789D+01 -0.960082D+00  0.118709D+02  0.183124D+01 -0.287418D+00
                66            67            68            69            70 
      1  -0.181000D+01 -0.722921D+00 -0.155285D+01 -0.301961D+01 -0.872328D+00
      2   0.592492D+00  0.123099D+01 -0.224407D-01  0.200925D+01 -0.277154D+01
      3   0.838814D-01  0.405295D+01 -0.521671D+01  0.798928D+00 -0.239727D+00
                71            72            73            74            75 
      1   0.230471D+01  0.352233D+00 -0.268017D+00  0.223387D+00  0.234720D+01
      2  -0.669339D+00 -0.300501D-01 -0.782129D+00 -0.212937D+00  0.139904D+01
      3   0.805237D+00  0.545021D+00 -0.850016D+01  0.109219D+01  0.616710D-01
                76            77            78            79            80 
      1  -0.113430D+01  0.795259D+00 -0.433024D+01 -0.291077D+01  0.177643D+01
      2  -0.476636D+00  0.687455D+00 -0.250136D+01 -0.196932D+01  0.284829D-01
      3   0.429992D+01  0.156953D+01  0.397839D+00  0.431204D+00 -0.419322D+00
                81            82            83            84            85 
      1   0.542868D+00  0.790608D+00  0.497337D+00 -0.221503D+01  0.680350D+00
      2   0.541763D+00  0.998335D+00  0.380993D+00  0.106418D+01  0.721998D+00
      3   0.106883D+01  0.734391D+01  0.267806D+01 -0.109179D+01  0.577442D+01
                86            87            88            89            90 
      1   0.131894D+01 -0.493270D+01  0.100764D+01  0.212495D+01  0.501628D+00
      2   0.710981D+00  0.150684D+01 -0.128582D+01  0.646781D+00 -0.647347D+00
      3   0.372527D+01 -0.120621D+01 -0.119698D+01 -0.138402D+01 -0.530693D+00
                91            92            93            94            95 
      1   0.311366D+01  0.981172D+00 -0.175968D+01  0.559182D+01 -0.469529D+00
      2  -0.794884D+01 -0.168722D+01 -0.558851D+01 -0.219954D+01 -0.806966D+01
      3   0.137539D+02 -0.122480D+01  0.239471D+01  0.204566D+02 -0.187917D+02
                96            97            98            99           100 
      1  -0.236989D+01 -0.232299D+01  0.503954D+01  0.856606D+00  0.167253D+01
      2  -0.131577D+01 -0.330198D+02  0.948480D-01  0.247858D+01 -0.114606D+02
      3   0.748246D+01  0.779200D+00  0.106080D+02  0.744168D+01  0.729353D+00
               101           102           103           104           105 
      1  -0.624645D+01  0.372790D+00 -0.303163D+01  0.432845D+01 -0.114167D+02
      2   0.200941D+01  0.169487D+02 -0.348694D+00  0.186040D+02  0.584622D+01
      3  -0.140062D+02 -0.119506D+01 -0.929962D+01  0.856174D+01 -0.153300D+02
               106           107           108           109           110 
      1   0.292593D+01 -0.596712D+01 -0.498512D+01 -0.487511D+01  0.175949D+01
      2   0.163722D+02  0.271684D+01 -0.302226D+01  0.123986D+02  0.390196D+01
      3   0.530482D+01 -0.144179D+02 -0.705558D+01 -0.565975D+01  0.100858D+02
               111           112           113           114           115 
      1   0.106739D+02 -0.106356D+02 -0.687359D+01 -0.830268D+01  0.918930D+01
      2   0.177462D+01  0.697588D+01  0.316947D+01 -0.107028D+02  0.843696D+01
      3  -0.610462D+01  0.827148D+01  0.170174D+02 -0.118058D+01 -0.167350D+02
               116           117           118           119           120 
      1  -0.616020D+00  0.636740D+01  0.122485D+01 -0.104101D+01  0.107116D+01
      2  -0.171949D+01  0.171110D+01  0.271988D+01 -0.856929D+00  0.520146D+01
      3  -0.687421D+01 -0.480646D+01  0.915291D+01 -0.643177D+01 -0.280377D+00
               121           122           123           124           125 
      1  -0.129766D+01  0.230342D+01 -0.318985D+01  0.988119D+00 -0.265712D+00
      2  -0.154343D+01  0.440384D+01 -0.537025D+01  0.263484D+01 -0.333414D+01
      3  -0.819313D-01  0.207915D+02 -0.354388D+01 -0.129839D+01 -0.521578D+01
               126           127           128           129           130 
      1   0.495142D+00 -0.246450D+01  0.282456D+01 -0.484585D+00  0.109621D+01
      2   0.175657D+01 -0.291392D+01  0.284502D+01 -0.445852D+01  0.299112D+01
      3   0.217776D+01 -0.457019D+01  0.395796D+01 -0.125647D+01  0.350317D+01
               131           132           133           134           135 
      1  -0.108802D+02  0.340318D+01  0.491874D-01  0.524061D+01 -0.261544D+01
      2  -0.100019D+02  0.972023D+01 -0.188807D+01  0.431190D+01 -0.714912D+01
      3  -0.168401D+02  0.914672D+01  0.465172D+00  0.598073D+01 -0.475777D+01
               136           137           138           139           140 
      1  -0.146537D+01 -0.285613D+01  0.839583D+00 -0.208601D+01 -0.810039D+00
      2   0.110686D+02  0.119686D+00  0.833906D+01  0.193327D+00 -0.916237D+00
      3  -0.463044D+01 -0.656147D+01  0.490630D+00 -0.322137D+01 -0.738067D+00
               141           142           143           144           145 
      1   0.206550D+00 -0.202930D+00  0.137533D+01  0.497997D-02  0.174624D+01
      2   0.138961D-01  0.113241D+01  0.485883D+00  0.829844D+00 -0.475408D+01
      3   0.233236D+01 -0.804427D+00  0.275720D+01 -0.575070D+00  0.339465D+01
               146           147           148           149           150 
      1   0.326576D+01  0.182801D+00  0.183547D+01  0.589555D+01  0.217219D+01
      2  -0.462879D+01 -0.846010D+01 -0.306329D+01 -0.117128D+02 -0.137549D+02
      3   0.454781D+01  0.315154D+01  0.376774D+01  0.108954D+02  0.989227D+01
               151           152           153           154           155 
      1  -0.201659D+00  0.534837D+01  0.242492D+01  0.407007D+01  0.433184D+00
      2  -0.426666D+01 -0.935606D+01 -0.170760D+02 -0.110490D+02 -0.600580D+00
      3   0.785095D-01  0.779884D+01  0.861150D+01 -0.860532D+01 -0.216732D+02
               156           157           158           159           160 
      1  -0.635828D+01  0.743151D+01  0.424295D+01 -0.363755D+01 -0.298177D+01
      2   0.213428D+02 -0.146311D+01 -0.422924D+01  0.119214D+02  0.478704D+01
      3  -0.984032D+00 -0.175995D+02 -0.233732D+02  0.736483D-01  0.381896D+01
               161           162           163           164           165 
      1   0.163670D+01  0.143242D+01  0.640887D+01  0.260675D+01 -0.315295D+01
      2   0.299998D+01 -0.865733D+01 -0.131073D+02 -0.529545D+01  0.331589D+01
      3   0.456896D+01 -0.248512D+01 -0.881058D+01 -0.406155D+01  0.899586D+00
               166           167           168           169           170 
      1   0.786011D+01  0.437431D+01  0.221513D+01 -0.157886D+01  0.787466D+01
      2  -0.104070D+02  0.525084D+01  0.825940D+01 -0.341830D+01  0.327015D+01
      3   0.563223D-01 -0.459001D+01 -0.915093D+01  0.620174D+01 -0.194677D+01
               171           172           173           174           175 
      1  -0.293905D+01 -0.777994D+01 -0.359498D+01  0.474377D+00 -0.917250D+01
      2   0.242181D+02  0.228525D+02  0.390619D+01 -0.785164D+01  0.942843D+01
      3  -0.308469D+01  0.262932D+01  0.274247D+01  0.225580D+01  0.863656D+01
               176           177           178           179           180 
      1  -0.280570D+01 -0.182949D+01 -0.984033D-02 -0.127624D+00 -0.677680D+00
      2   0.376299D+01 -0.441266D+01 -0.275994D+01 -0.103335D+01  0.550359D+01
      3   0.936948D+00  0.352539D+00  0.188844D+01  0.767769D+00  0.744432D+00
               181           182           183           184           185 
      1  -0.571972D+00  0.236729D+01  0.603806D+01  0.247754D+01 -0.109910D+01
      2  -0.694760D+01 -0.181300D+01  0.703061D+01 -0.149269D+01 -0.785231D+01
      3  -0.304809D+02 -0.131401D+02  0.270005D+01 -0.116293D+02 -0.267721D+02
               186           187           188           189           190 
      1  -0.239162D+01  0.152929D+02  0.319652D+01 -0.237027D+01 -0.870119D+00
      2  -0.199766D+01 -0.251746D+01 -0.109006D+02  0.158698D+01 -0.352597D+01
      3   0.628386D+01  0.361311D+01  0.778289D+01 -0.194689D+01  0.108957D+02
               191           192           193           194           195 
      1   0.328085D+01 -0.459052D+00  0.344555D+01  0.226019D+01  0.366806D+01
      2   0.445949D+01  0.288072D+00  0.133826D+02  0.179395D+01 -0.320468D+01
      3   0.211158D+02 -0.443170D+01  0.520997D+02  0.190872D+02 -0.590835D+01
               196           197           198           199           200 
      1  -0.383554D+01  0.141200D+02 -0.321215D+01  0.557015D-01 -0.206256D+01
      2  -0.173202D+01 -0.510337D+01  0.963331D+00  0.222755D+01 -0.190595D+01
      3  -0.980470D+01 -0.440046D+01  0.547524D+01 -0.215034D+02 -0.116283D+02
               201           202           203           204           205 
      1   0.221518D+00 -0.204888D+01  0.122561D+01 -0.359420D+01 -0.395630D+01
      2   0.453388D+01 -0.815716D+01  0.447553D+01  0.497199D+01 -0.169654D+02
      3   0.236578D+01 -0.415889D+01  0.797733D+00 -0.183663D+01  0.547725D+01
               206           207           208           209           210 
      1   0.374524D+01  0.355685D+00  0.882819D+00 -0.319825D+01  0.572756D+00
      2   0.143447D+02 -0.414032D+01  0.248142D+01 -0.539944D+01  0.129043D+02
      3  -0.353844D+01 -0.598439D+01  0.679687D+01 -0.413328D+02  0.496791D+01
               211           212           213           214           215 
      1   0.143710D+00 -0.113867D+01 -0.655777D+01  0.263157D+01 -0.119476D+01
      2  -0.158232D+01  0.224000D+01  0.747949D+01 -0.531249D+01 -0.313755D+01
      3  -0.488693D+01  0.100647D+02 -0.239344D+01  0.131710D+01  0.187917D+01
               216           217           218           219           220 
      1   0.126322D+01 -0.124744D+01  0.517231D+00 -0.114936D+01  0.323770D+01
      2  -0.122371D+01 -0.621938D+01 -0.133439D+01  0.756191D+01 -0.256305D+01
      3   0.907747D+00 -0.340205D+02 -0.216854D+01  0.372367D+01  0.121904D+02
               221           222           223           224           225 
      1   0.406592D+01  0.666863D+01  0.126854D+02  0.715913D+01 -0.196569D+01
      2  -0.710871D+01 -0.349685D+02 -0.888005D+01 -0.220306D+02  0.167936D+02
      3   0.210088D+02  0.729674D+01  0.327885D+01  0.581536D+01  0.280218D+02
               226           227           228           229           230 
      1   0.231611D+00 -0.364140D+00 -0.214315D+01 -0.237463D-02 -0.828931D+00
      2   0.200609D+01  0.174973D+01 -0.531808D-01  0.141664D+01  0.363290D+01
      3   0.945014D+01  0.748412D+01 -0.197718D+01  0.708784D+01  0.181016D+02
               231           232           233           234           235 
      1  -0.447126D+01  0.122688D+01  0.218225D+01  0.412511D+00 -0.783358D+00
      2  -0.715692D+00 -0.507081D+00 -0.116074D+01  0.524406D-01 -0.901397D+00
      3  -0.363487D+01 -0.203200D+01 -0.385576D+01  0.389972D+00 -0.301739D+00
               236           237           238           239           240 
      1   0.870315D+00  0.237465D+01 -0.221607D+00 -0.879168D+00 -0.399866D+01
      2  -0.385769D-01  0.273352D+01 -0.100354D+01  0.116383D+01 -0.411742D+01
      3  -0.629640D+01  0.620232D+00 -0.546308D+01  0.163486D+02 -0.135275D+01
               241           242           243           244           245 
      1  -0.300095D+01  0.153358D+01  0.566784D+00  0.296912D+00 -0.743165D-01
      2  -0.256091D+01 -0.102498D+01  0.121522D+01 -0.599502D+00 -0.921568D+00
      3   0.182472D+01 -0.218847D+01  0.163907D+01 -0.235136D+00 -0.304579D+01
               246           247           248           249           250 
      1  -0.116135D+01  0.233069D+00 -0.298144D+00 -0.297045D+01 -0.475291D+00
      2   0.108852D+01 -0.817441D+00 -0.279218D+01  0.318697D+01 -0.144742D+01
      3   0.516744D+00  0.115566D+00 -0.136014D+02  0.229586D+01  0.342441D+00
               251           252           253           254           255 
      1   0.159348D+01  0.395169D+00 -0.583448D+00  0.677596D+00  0.169025D+01
      2  -0.912449D+00 -0.129345D+00 -0.508448D+01  0.100688D+01 -0.598865D+01
      3   0.295682D+01  0.211809D+00  0.101494D+01  0.314129D+01 -0.260637D+01
               256           257           258           259           260 
      1  -0.182128D+00 -0.236116D+00 -0.243142D+01 -0.290260D+01  0.151289D+01
      2  -0.433710D+01 -0.795465D+01  0.146069D+02  0.102004D+02  0.131334D+02
      3  -0.511683D+01 -0.126261D+02  0.990368D+01  0.521304D+01  0.115907D+02
               261           262           263           264           265 
      1   0.556347D+01  0.680078D+00 -0.596186D+00 -0.451166D+00 -0.542497D+00
      2  -0.359763D+02  0.104995D+01  0.138824D+00  0.938738D+01  0.380307D+00
      3  -0.177031D+02  0.148203D+02 -0.102086D+02 -0.952638D+00 -0.793115D+01
               266           267           268           269           270 
      1   0.121566D+00 -0.754255D+00 -0.116877D+01  0.736999D-01  0.166340D+00
      2   0.791174D+00 -0.131830D+01  0.666322D+01  0.102768D+01 -0.163853D+01
      3   0.545530D+01 -0.473792D+00 -0.867210D+00 -0.782515D+00 -0.119195D+01
               271           272           273           274           275 
      1   0.201007D+00  0.175860D+00  0.108990D+01 -0.196432D+01 -0.295844D+01
      2   0.594206D+01  0.581426D+00 -0.261431D+01  0.632328D+01  0.111771D+02
      3  -0.175834D+01  0.178643D+01  0.460162D+00 -0.112103D+02 -0.257919D+02
               276           277           278           279 
      1  -0.506873D+01 -0.383859D+01 -0.149705D+01 -0.557759D+01
      2   0.150237D+02  0.728273D+01  0.133028D+02  0.173874D+02
      3  -0.136516D+02 -0.759938D+01 -0.166585D+02 -0.161795D+02
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1  -0.802664D+02  0.403150D+02 -0.379834D+01 -0.733658D+02  0.292133D+01
      2   0.396864D+02 -0.264541D+02  0.317932D+01  0.378629D+02  0.671799D+01
      3   0.405801D+02 -0.138610D+02  0.619022D+00  0.355029D+02 -0.963932D+01
      4   0.210367D+02  0.101784D+02 -0.284993D+01  0.109140D+02 -0.202082D+02
      5  -0.631414D+01 -0.347542D+01  0.380919D-01 -0.535835D+01  0.674500D+01
      6   0.342056D+01  0.111390D+01  0.233727D+01  0.417411D+01 -0.552248D+01
                 6             7             8             9            10 
      1   0.248058D+01  0.186374D+02 -0.474120D+01 -0.990041D+01  0.120598D+03
      2  -0.408006D+01 -0.805381D+01  0.178515D+01 -0.967764D+00 -0.563838D+02
      3   0.159948D+01 -0.105836D+02  0.295604D+01  0.108682D+02 -0.642139D+02
      4   0.378966D+01 -0.321901D+01  0.300313D+01 -0.576373D+00  0.784146D+01
      5   0.376102D+01  0.126274D+01 -0.113877D+01  0.912082D-01 -0.772014D+00
      6   0.232324D+00  0.185449D+01  0.402070D+01  0.926355D+00 -0.785973D+01
                11            12            13            14            15 
      1  -0.409515D+01 -0.833585D+01  0.594530D+02 -0.315554D+02  0.137405D+01
      2  -0.458013D+00  0.368585D+01 -0.215123D+02  0.228252D+02 -0.405032D+01
      3   0.455317D+01  0.465000D+01 -0.379407D+02  0.873022D+01  0.267627D+01
      4   0.125080D+02 -0.506187D+01 -0.271950D+02  0.173103D+02 -0.916425D+00
      5  -0.706593D+01 -0.117931D+02  0.886567D+01 -0.248425D+01 -0.334982D+00
      6   0.364490D+01  0.966796D+00 -0.400990D+01 -0.700401D+00 -0.182201D+01
                16            17            18            19            20 
      1  -0.190141D+02  0.548503D+01 -0.490279D+01  0.428049D+02 -0.454935D+02
      2   0.853022D+01 -0.360160D+01 -0.249373D+01 -0.201262D+02  0.324182D+02
      3   0.104839D+02 -0.188344D+01  0.739651D+01 -0.226787D+02  0.130752D+02
      4   0.575982D+01 -0.233205D+01  0.523118D+01 -0.235539D+02 -0.119097D+02
      5   0.131949D+01  0.450946D+01  0.410120D+00  0.850773D+01  0.401794D+01
      6   0.535117D+01  0.411251D+01  0.147212D+01 -0.327317D+01 -0.191249D+00
                21            22            23            24            25 
      1   0.558834D+01  0.755973D+01  0.322801D+02 -0.480051D+01 -0.442963D+01
      2  -0.405441D+01 -0.212411D+02 -0.312098D+02  0.588896D+01  0.698428D+01
      3  -0.153393D+01  0.136813D+02 -0.107036D+01 -0.108845D+01 -0.255465D+01
      4   0.293042D+01  0.147746D+02 -0.303630D+01  0.313723D+01 -0.116032D+01
      5  -0.256912D+01 -0.562009D+01  0.333316D+01  0.677331D+01  0.508616D+01
      6   0.611802D+00  0.978955D+01  0.536898D+01  0.168758D+01  0.288396D+01
                26            27            28            29            30 
      1  -0.175638D+01 -0.690876D+01  0.135502D+02  0.142320D+00  0.321755D+01
      2   0.531303D+01 -0.669808D+01 -0.275578D+02 -0.294734D+01 -0.155261D+01
      3  -0.355665D+01  0.136068D+02  0.140076D+02  0.280502D+01 -0.166494D+01
      4   0.512486D+01  0.394975D+01 -0.688259D+00  0.130765D+02  0.591298D+00
      5   0.863313D+01 -0.231381D+01 -0.114663D+02  0.205881D+01  0.846101D+01
      6   0.422206D+01 -0.232858D+00  0.115692D+02 -0.135774D+01 -0.315963D+01
                31            32            33            34            35 
      1   0.156620D+02 -0.627937D+02  0.729307D+01 -0.358915D+01  0.102345D+02
      2  -0.504164D+01  0.582931D+02 -0.112664D+02 -0.615388D+00 -0.109282D+02
      3  -0.106203D+02  0.450057D+01  0.397332D+01  0.420454D+01  0.693751D+00
      4  -0.353967D+02 -0.121574D+02  0.421936D+01  0.139760D+02  0.376226D+01
      5   0.107537D+02  0.493934D+01 -0.107881D+01  0.326065D+02 -0.540009D+01
      6  -0.202148D+01 -0.534891D+01 -0.228112D+01 -0.688226D+01  0.610312D+01
                36            37            38            39            40 
      1  -0.425584D+00 -0.504769D+01  0.678544D+02 -0.131171D+02 -0.202947D+02
      2  -0.796122D+01 -0.433203D+00 -0.516866D+02  0.708153D+01  0.226791D+02
      3   0.838681D+01  0.548090D+01 -0.161678D+02  0.603554D+01 -0.238439D+01
      4  -0.534261D+00  0.198994D+02 -0.113141D+02 -0.685966D+00  0.159580D+02
      5   0.437861D+00 -0.385710D+01 -0.375681D+01  0.247291D+01  0.275364D+01
      6   0.527557D+01 -0.364323D+01  0.322759D+01 -0.114186D+02 -0.102755D+02
                41            42            43            44            45 
      1   0.241711D+02 -0.786982D+01  0.630913D+01 -0.136596D+02 -0.133736D+02
      2  -0.277242D+02  0.723057D+01 -0.973376D+01  0.151446D+02  0.337704D+01
      3   0.355315D+01  0.639249D+00  0.342463D+01 -0.148501D+01  0.999660D+01
      4   0.171986D+02 -0.736846D+01  0.536807D+00 -0.568008D+01 -0.679643D+01
      5  -0.847889D+01 -0.683325D+01  0.190112D+02 -0.793955D+01  0.361605D+01
      6   0.829657D+01  0.529277D+01 -0.182209D+02  0.171396D+02  0.425251D+00
                46            47            48            49            50 
      1   0.250602D+01 -0.541447D+02  0.789168D+01  0.263968D+02  0.608735D+01
      2  -0.228211D+01  0.421853D+02 -0.292843D+01 -0.234835D+02 -0.117669D+02
      3  -0.223908D+00  0.119594D+02 -0.496325D+01 -0.291335D+01  0.567953D+01
      4  -0.163442D+02 -0.886790D+01  0.421072D+01  0.104937D+02 -0.112019D+02
      5   0.524355D+01  0.607349D+01  0.404395D+00 -0.238774D+01  0.207389D+01
      6   0.395752D+01  0.966643D+00  0.102015D+02  0.312011D+01  0.105468D+02
                51            52            53            54            55 
      1  -0.730230D+01 -0.517570D+01 -0.231165D+01 -0.219176D+02 -0.200975D+02
      2   0.797604D+01  0.634912D+01  0.911662D+01  0.923768D+01  0.775337D+01
      3  -0.673743D+00 -0.117343D+01 -0.680498D+01  0.126799D+02  0.123441D+02
      4   0.330374D+01  0.154620D+01  0.628682D+01  0.572406D+01  0.446979D+01
      5   0.553842D+00  0.509198D+01  0.236527D+01  0.283796D+00 -0.270601D+01
      6   0.440372D+01  0.419442D+01  0.214645D+02 -0.504341D+01  0.337279D+01
                56            57            58            59            60 
      1  -0.396449D+02  0.634816D+01  0.945015D+01  0.180296D+02 -0.892836D+01
      2   0.335698D+02 -0.109023D+01 -0.107868D+02 -0.183780D+02  0.849177D+01
      3   0.607510D+01 -0.525793D+01  0.133664D+01  0.348377D+00  0.436586D+00
      4  -0.481666D+02  0.759045D+01  0.128447D+02 -0.574917D+01 -0.609759D+00
      5   0.109044D+02 -0.104477D+02 -0.244578D+01 -0.202680D+01 -0.991576D+00
      6  -0.205391D+01  0.117606D+02  0.324286D+01  0.976204D+01  0.317818D+01
                61            62            63            64            65 
      1  -0.178858D+01 -0.563550D+01 -0.265895D+02  0.352589D+01 -0.147397D+01
      2   0.477846D+01  0.114903D+02  0.896176D+01 -0.697707D+00  0.265597D+01
      3  -0.298988D+01 -0.585479D+01  0.176278D+02 -0.282818D+01 -0.118200D+01
      4  -0.279863D+01  0.319632D+01 -0.573816D+01  0.929384D+01  0.100419D+02
      5  -0.171979D+01 -0.100242D+02  0.641206D+01 -0.262900D+01 -0.208575D+01
      6   0.546665D+01  0.184581D+02 -0.624400D+01 -0.170017D+01 -0.148509D+01
                66            67            68            69            70 
      1   0.371434D+00 -0.359586D+01 -0.147097D+02  0.338204D+01  0.723444D-01
      2   0.147341D+00  0.571470D+01  0.174159D+02 -0.143561D+01  0.826194D-01
      3  -0.518776D+00 -0.211884D+01 -0.270614D+01 -0.194643D+01 -0.154964D+00
      4  -0.158365D+01  0.137058D+02  0.183182D+02 -0.320830D+01 -0.286894D+01
      5   0.314152D+01 -0.359791D+01 -0.337727D+01  0.400530D+01  0.169604D+01
      6   0.156967D+01 -0.292438D+01 -0.599318D+01  0.537023D+01  0.217878D+01
                71            72            73            74            75 
      1   0.207732D+01 -0.296877D+01 -0.767619D+00  0.745095D+01 -0.898930D+00
      2  -0.185504D+01  0.220083D+01  0.994371D+01 -0.164929D+02  0.141453D+01
      3  -0.222279D+00  0.767940D+00 -0.917609D+01  0.904196D+01 -0.515599D+00
      4  -0.340077D+01  0.234414D+01 -0.221601D+02  0.223337D+02 -0.233633D+01
      5   0.923295D+00 -0.140169D+01  0.182382D+01 -0.241405D+01  0.318071D+01
      6   0.313318D+01 -0.215637D+01 -0.104873D+01  0.149625D+01 -0.316363D+01
                76            77            78            79            80 
      1   0.116624D+02 -0.293829D+02  0.345201D+01 -0.233428D+01  0.435490D+01
      2  -0.224040D+02  0.470807D+02 -0.418209D+01  0.413730D+01 -0.629519D+01
      3   0.107417D+02 -0.176978D+02  0.730076D+00 -0.180302D+01  0.194029D+01
      4   0.243773D+02 -0.331275D+02  0.363603D+01 -0.324712D+01  0.404754D+01
      5  -0.325843D+01  0.409434D+01 -0.394486D+01  0.215378D+00 -0.181440D+01
      6   0.356860D+01 -0.509651D+01  0.719167D+01  0.130708D+01  0.287979D+01
                81            82            83            84            85 
      1  -0.146616D+01 -0.576396D+01 -0.109466D+02  0.252413D+01 -0.956875D+01
      2   0.248270D+01  0.987901D+01  0.174589D+02 -0.268402D+01  0.136620D+02
      3  -0.101654D+01 -0.411505D+01 -0.651235D+01  0.159891D+00 -0.409324D+01
      4  -0.243048D+01  0.117895D+02  0.192301D+02 -0.333873D+01  0.129057D+02
      5   0.106000D+01 -0.133423D+01 -0.191590D+01  0.301020D+01 -0.139275D+01
      6  -0.186981D+01 -0.251526D+01 -0.395828D+01  0.372369D+01 -0.284682D+01
                86            87            88            89            90 
      1  -0.406514D+02  0.775776D+01  0.202945D+01  0.828948D+01 -0.236834D+01
      2   0.571606D+02 -0.839239D+01 -0.299228D+01 -0.105239D+02  0.258847D+01
      3  -0.165092D+02  0.634633D+00  0.962826D+00  0.223446D+01 -0.220122D+00
      4   0.266793D+02 -0.435236D+01 -0.324507D+01 -0.497207D+01  0.312551D+01
      5  -0.189568D+01  0.230299D+01  0.108097D+01  0.272759D+01 -0.142089D+01
      6  -0.106293D+02  0.927848D+01  0.785234D+00  0.456059D+01 -0.280962D+01
                91            92            93            94            95 
      1  -0.875909D+01  0.196945D+01 -0.150642D+02 -0.343054D+01 -0.141319D+01
      2   0.136376D+02  0.264214D+01  0.164723D+01  0.101462D+02 -0.110671D+02
      3  -0.487852D+01 -0.461159D+01  0.134170D+02 -0.671566D+01  0.124802D+02
      4  -0.393524D+01 -0.131164D+02 -0.331167D+01 -0.144217D+02  0.366159D+02
      5  -0.167229D+01 -0.412253D+01 -0.191207D+02  0.286728D+01 -0.128031D+02
      6  -0.479645D+01  0.193226D+01  0.130129D+01 -0.382708D+01  0.354307D+01
                96            97            98            99           100 
      1  -0.143091D+01 -0.920296D+00 -0.411760D+01 -0.208006D+02 -0.730829D+02
      2   0.563372D+00 -0.122032D+02  0.891333D+01  0.187877D+02  0.409891D+02
      3   0.867533D+00  0.131235D+02 -0.479573D+01  0.201288D+01  0.320938D+02
      4  -0.144231D+02 -0.725094D+01 -0.156121D+02 -0.344220D+01  0.123501D+02
      5  -0.292619D+01 -0.599192D+02  0.184202D+01  0.128044D+02  0.396737D+02
      6   0.438528D+01  0.244512D+01 -0.600805D+00 -0.899295D+00 -0.384514D+01
               101           102           103           104           105 
      1   0.793314D+01  0.291400D+02  0.444259D+01  0.300153D+02  0.891467D+01
      2  -0.354569D+01 -0.789196D+01 -0.570232D+01 -0.513647D+01  0.751871D-01
      3  -0.438745D+01 -0.212481D+02  0.125973D+01 -0.248788D+02 -0.898986D+01
      4   0.180936D+02  0.131987D+01  0.168814D+02 -0.148720D+02  0.232799D+02
      5   0.876194D+00  0.106546D+02  0.654775D+00  0.154937D+02  0.631971D+01
      6  -0.113198D+02 -0.315298D+01 -0.631354D+01  0.400845D+01 -0.193157D+02
               106           107           108           109           110 
      1   0.414624D+01  0.828253D+01  0.200923D+02 -0.763846D+02 -0.249800D+02
      2   0.155564D+02 -0.338952D+01 -0.210090D+02  0.286571D+02  0.380913D+01
      3  -0.197027D+02 -0.489301D+01  0.916759D+00  0.477275D+02  0.211708D+02
      4   0.208676D+01  0.199002D+02  0.416210D+01 -0.432782D+02 -0.256789D+02
      5   0.376402D+02  0.135991D+01 -0.259910D+02  0.240455D+01 -0.334341D+01
      6  -0.325801D+01 -0.140959D+02 -0.755819D+01 -0.138277D+01  0.232711D+01
               111           112           113           114           115 
      1   0.122287D+01 -0.343500D+02 -0.145554D+02  0.955298D+01  0.384006D+02
      2  -0.251435D+01  0.759927D+01  0.536397D+01 -0.523108D+00 -0.181336D+02
      3   0.129149D+01  0.267507D+02  0.919142D+01 -0.902987D+01 -0.202670D+02
      4  -0.675235D+00 -0.102966D+02 -0.223016D+02  0.712558D+01  0.169238D+02
      5  -0.320743D+01 -0.260923D+01  0.496202D+01 -0.641040D+01  0.257420D+02
      6  -0.472785D+01  0.343453D+01 -0.375505D+01  0.510022D+00  0.494168D+01
               116           117           118           119           120 
      1   0.708638D+01  0.271403D+02  0.758065D+01 -0.905235D+01  0.481060D+01
      2  -0.300225D+01 -0.333490D+01  0.270494D+01 -0.977388D-01 -0.138703D+01
      3  -0.408412D+01 -0.238054D+02 -0.102856D+02  0.915009D+01 -0.342356D+01
      4   0.157212D+02  0.704707D+01 -0.202023D+02  0.208541D+02 -0.668140D+00
      5   0.471372D+01  0.116335D+01  0.546331D+01 -0.325855D+00  0.104139D+02
      6  -0.118958D+01 -0.964347D+00 -0.154447D+01  0.585034D+00 -0.942101D+00
               121           122           123           124           125 
      1  -0.172778D+02 -0.229102D+01 -0.239478D+00  0.693910D+01  0.204475D+01
      2   0.338441D+01  0.199528D+02 -0.308421D+01 -0.267339D+01 -0.498006D+01
      3   0.138934D+02 -0.176618D+02  0.332369D+01 -0.426572D+01  0.293531D+01
      4   0.232586D+02 -0.488971D+02  0.742732D+01 -0.291184D+01  0.115695D+02
      5  -0.151303D+01  0.680998D+01 -0.109704D+02  0.118355D+02 -0.767332D+01
      6   0.626726D+00 -0.274375D+01  0.473067D+01 -0.244363D+01  0.647059D+01
               126           127           128           129           130 
      1   0.230231D+01  0.662156D+00  0.601928D+01 -0.861186D+01  0.110553D+02
      2  -0.778725D+00 -0.604853D-01 -0.262934D+01 -0.289205D-01 -0.737009D+01
      3  -0.152359D+01 -0.601670D+00 -0.338994D+01  0.864078D+01 -0.368521D+01
      4  -0.827244D+01  0.298389D+01 -0.490771D+01  0.157165D+01  0.153089D+01
      5   0.358179D+01 -0.976640D+00 -0.601883D+00 -0.481733D+01 -0.103505D+02
      6  -0.271967D+01 -0.278544D+01  0.469777D+01 -0.185495D+01  0.166531D+00
               131           132           133           134           135 
      1  -0.157306D+02  0.907274D+01 -0.395893D+01  0.526122D+01 -0.110421D+02
      2   0.573957D+01  0.398125D+01  0.130974D+01  0.151964D+01 -0.182025D+01
      3   0.999104D+01 -0.130540D+02  0.264919D+01 -0.678086D+01  0.128624D+02
      4   0.286759D+02 -0.156910D+02 -0.758530D+00 -0.109510D+02  0.798197D+01
      5  -0.119594D+02  0.178355D+02  0.272860D+01  0.636328D+01 -0.940024D+01
      6  -0.194338D+02  0.135225D+02  0.395114D+00  0.108932D+02 -0.678223D+01
               136           137           138           139           140 
      1   0.110727D+03 -0.606385D+01 -0.198184D+02 -0.443719D+01  0.572633D+01
      2  -0.664979D+02  0.267987D+01  0.189844D+02  0.126193D+01 -0.367425D+01
      3  -0.442293D+02  0.338398D+01  0.833973D+00  0.317526D+01 -0.205208D+01
      4  -0.136357D+02  0.128637D+02  0.398169D+01  0.140461D+02 -0.127063D+01
      5  -0.638612D+02  0.437360D+01  0.314436D+02  0.240330D+01 -0.666918D+01
      6   0.553045D+01 -0.462544D+01 -0.236873D+01 -0.418787D+01  0.232794D+00
               141           142           143           144           145 
      1  -0.998496D-01 -0.807588D+01 -0.142717D+01  0.774872D+01 -0.106798D+01
      2  -0.172562D-01  0.826040D+01  0.125099D+00 -0.675069D+01 -0.495727D+00
      3   0.117106D+00 -0.184519D+00  0.130207D+01 -0.998031D+00  0.156371D+01
      4  -0.554953D+01 -0.152065D+00 -0.347661D+01 -0.905023D+00 -0.319297D+01
      5  -0.787012D+00  0.167110D+02 -0.235172D+00 -0.727015D+01 -0.211592D+01
      6   0.420444D+01 -0.636971D+00  0.272918D+01  0.109813D+01  0.385931D+01
               146           147           148           149           150 
      1  -0.100069D+02 -0.155722D+02 -0.935832D+01 -0.191697D+02 -0.175182D+02
      2   0.371462D+01  0.109392D+01  0.597084D+01  0.809468D+01 -0.322591D+00
      3   0.629228D+01  0.144783D+02  0.338748D+01  0.110750D+02  0.178408D+02
      4  -0.544233D+01 -0.338848D+01  0.286317D+01 -0.192536D+02 -0.183837D+02
      5  -0.109071D+01 -0.710768D+01  0.802015D+01 -0.145755D+02 -0.214843D+02
      6   0.717155D+01  0.651332D+01 -0.753227D-01  0.183364D+02  0.195401D+02
               151           152           153           154           155 
      1  -0.649505D+01 -0.125839D+02 -0.246298D+02  0.168636D+03  0.359919D+02
      2   0.288656D+01  0.160130D-01 -0.399442D+01 -0.748005D+02 -0.103022D+02
      3   0.360849D+01  0.125679D+02  0.286242D+02 -0.938355D+02 -0.256896D+02
      4   0.212015D+01 -0.140901D+02 -0.145618D+02  0.617588D+02  0.438277D+02
      5   0.511715D+01 -0.125969D+02 -0.236661D+02  0.117256D+02  0.625495D+01
      6   0.278860D+00  0.153693D+02  0.178161D+02  0.436628D+00  0.843404D+00
               156           157           158           159           160 
      1  -0.481399D+01  0.481542D+02  0.337365D+02 -0.467111D+01 -0.796653D+01
      2  -0.117534D+01 -0.103775D+02 -0.217960D+01 -0.109463D+00  0.990990D-01
      3   0.598933D+01 -0.377767D+02 -0.315569D+02  0.478058D+01  0.786743D+01
      4   0.265251D+01  0.616225D+02  0.515265D+02 -0.422095D+01 -0.594171D+01
      5   0.335005D+02  0.857212D+00  0.667457D+00  0.157549D+02  0.289314D+02
      6   0.604623D+01  0.370495D+01  0.339894D+01  0.687002D+01  0.652297D+01
               161           162           163           164           165 
      1  -0.348919D+01  0.160175D+02  0.480857D+02  0.146297D+02  0.118555D+02
      2  -0.984061D+00 -0.969386D+01 -0.310730D+02 -0.540105D+01 -0.886891D+01
      3   0.447325D+01 -0.632364D+01 -0.170128D+02 -0.922861D+01 -0.298663D+01
      4  -0.999710D+01  0.103669D+02  0.257592D+02  0.121851D+02  0.192398D+01
      5   0.956161D+01 -0.829475D+01  0.276881D+02  0.341678D+01  0.193286D+02
      6   0.528133D+01 -0.479830D+00  0.104270D+02  0.179917D+01  0.794277D+00
               166           167           168           169           170 
      1   0.205716D+02 -0.607685D+01 -0.985314D+01 -0.117522D+02 -0.799216D+01
      2  -0.105097D+02  0.316550D+01  0.206583D+01  0.102184D+01  0.266418D+01
      3  -0.100619D+02  0.291135D+01  0.778731D+01  0.107304D+02  0.532799D+01
      4   0.120757D+02  0.748453D+01  0.116508D+02 -0.617251D+01  0.185504D+01
      5   0.107149D+02  0.124569D+02  0.110743D+02  0.143357D+02  0.291772D+01
      6   0.270643D+01  0.699674D+01  0.123510D+02 -0.911632D+00  0.104729D+02
               171           172           173           174           175 
      1  -0.318912D+02 -0.465388D+02 -0.856123D+01  0.102853D+02 -0.208116D+02
      2  -0.156091D+02  0.258865D+02  0.369727D+01  0.369340D+01  0.135495D+02
      3   0.475003D+02  0.206524D+02  0.486396D+01 -0.139787D+02  0.726210D+01
      4   0.902889D+00 -0.206024D+02 -0.872991D+01 -0.168129D+01 -0.102066D+02
      5   0.469993D+02 -0.204428D+02 -0.469661D+01 -0.152974D+02 -0.113264D+02
      6   0.805151D+01 -0.784506D+01 -0.472907D+01 -0.262897D+01 -0.359572D+01
               176           177           178           179           180 
      1  -0.890607D+01  0.270605D+01 -0.257747D+01  0.946879D+00 -0.113581D+02
      2   0.464472D+01  0.311973D+01  0.786405D+01  0.362495D+00  0.290346D+01
      3   0.426135D+01 -0.582578D+01 -0.528659D+01 -0.130937D+01  0.845459D+01
      4  -0.422779D+01  0.198094D+01 -0.493983D+01 -0.214138D+00 -0.369664D+01
      5   0.855384D+00 -0.912935D+01 -0.753600D+01 -0.165592D+01  0.124458D+01
      6  -0.246000D+01  0.235318D+01 -0.242569D+01  0.169215D+01 -0.210987D+01
               181           182           183           184           185 
      1   0.370211D+02  0.519653D+02 -0.113680D+02 -0.346548D+02  0.171118D+02
      2  -0.243433D+02 -0.392756D+02  0.402965D+01  0.241935D+02 -0.203331D+02
      3  -0.126778D+02 -0.126897D+02  0.733830D+01  0.104613D+02  0.322126D+01
      4   0.109396D+02  0.299934D+02 -0.665762D+01  0.993691D+01  0.256405D+02
      5   0.746934D+00 -0.937584D+01  0.142364D+02  0.324554D+01 -0.106528D+02
      6  -0.186228D+01  0.662518D+01 -0.123723D+02 -0.668280D+01  0.862043D+01
               186           187           188           189           190 
      1  -0.235704D+01  0.634149D+01 -0.933533D+01 -0.878629D+00  0.952043D+02
      2   0.408588D+01 -0.124067D+02  0.139646D+02 -0.427888D+01 -0.529473D+02
      3  -0.172884D+01  0.606519D+01 -0.462930D+01  0.515751D+01 -0.422570D+02
      4  -0.108410D+02 -0.742622D+00 -0.135393D+02 -0.200908D+02 -0.122151D+02
      5  -0.665081D+01  0.285563D+02 -0.187514D+02  0.851928D+01  0.602929D+01
      6   0.431785D+01 -0.212841D+02  0.169809D+02 -0.332241D+00 -0.652392D-01
               191           192           193           194           195 
      1  -0.210308D+02 -0.614653D+00 -0.923139D+02 -0.315966D+02  0.153792D+02
      2   0.586614D+01 -0.945826D+00  0.500217D+02  0.382534D+02 -0.160927D+02
      3   0.151646D+02  0.156048D+01  0.422922D+02 -0.665679D+01  0.713435D+00
      4   0.984888D+01 -0.943893D+00 -0.334081D+02 -0.526889D+02  0.975144D+01
      5  -0.994224D+00  0.421039D+01  0.169127D+02  0.883536D+01 -0.661736D+01
      6   0.297866D+01 -0.257762D+01  0.164329D+01 -0.107931D+02 -0.393777D+01
               196           197           198           199           200 
      1   0.166980D+02  0.100102D+02  0.192299D+02 -0.118724D+03 -0.384270D+01
      2  -0.988653D+01 -0.875975D+01 -0.175083D+02  0.566179D+02  0.990912D+01
      3  -0.681151D+01 -0.125045D+01 -0.172159D+01  0.621063D+02 -0.606642D+01
      4   0.148223D+02  0.606107D+01 -0.783622D+01 -0.994214D+01 -0.216275D+02
      5   0.441749D+02 -0.131463D+02  0.160217D+01  0.402099D+01  0.951937D+01
      6  -0.426203D+01  0.746565D+01  0.332367D+01  0.714119D+01 -0.427089D+01
               201           202           203           204           205 
      1   0.808221D+01  0.113755D+03  0.386736D+01 -0.900974D+01 -0.126932D+02
      2  -0.519772D+01 -0.710052D+02 -0.142663D+02  0.835105D+01  0.988613D+01
      3  -0.288449D+01 -0.427499D+02  0.103989D+02  0.658692D+00  0.280702D+01
      4   0.786707D+01  0.135199D+02  0.186946D+02  0.189448D+01  0.948901D+00
      5   0.607098D+01 -0.334717D+01  0.261812D+01  0.116375D+02  0.655756D+01
      6   0.177255D+01  0.365363D+01  0.918584D+01  0.571502D+01  0.247896D+01
               206           207           208           209           210 
      1  -0.505430D+00 -0.114740D+02  0.391038D+02 -0.529583D+01  0.159126D+01
      2   0.338712D+01 -0.592187D+01 -0.212978D+02  0.285503D+01  0.154653D+01
      3  -0.288169D+01  0.173959D+02 -0.178060D+02  0.244080D+01 -0.313779D+01
      4   0.653350D+01  0.181578D+02 -0.162355D+02  0.133213D+02  0.276433D+01
      5   0.212867D+02 -0.847461D+01  0.381734D+00  0.217837D+01  0.233423D+02
      6   0.747687D+01  0.978141D+00  0.173982D+01 -0.104181D+01  0.143819D+01
               211           212           213           214           215 
      1  -0.138760D+01  0.728613D+01  0.139235D+01 -0.310464D+00 -0.701817D+00
      2  -0.153714D+01 -0.951878D+00  0.355341D+01  0.588122D+00  0.165972D+01
      3   0.292475D+01 -0.633425D+01 -0.494576D+01 -0.277659D+00 -0.957902D+00
      4   0.398910D+02 -0.197358D+02  0.326674D+01 -0.417170D+01  0.904251D+00
      5  -0.301158D+01  0.506583D+01  0.130809D+02  0.144897D+02 -0.674033D+01
      6  -0.863650D+00  0.290966D+01  0.994953D+01 -0.241186D+01  0.464148D+01
               216           217           218           219           220 
      1   0.487309D+01 -0.787767D+02  0.225133D+02  0.315088D+01  0.203139D+02
      2  -0.295760D+01  0.435327D+02 -0.114534D+02 -0.989924D+00 -0.851679D+01
      3  -0.191548D+01  0.352440D+02 -0.110598D+02 -0.216095D+01 -0.117971D+02
      4  -0.685879D+01  0.272447D+02  0.180196D+02 -0.677662D+01 -0.206257D+02
      5  -0.309372D+01  0.183828D+01 -0.662570D+01  0.974233D+01 -0.642451D+01
      6  -0.269893D+01 -0.351177D+01 -0.106048D+01  0.251042D+01 -0.383148D+01
               221           222           223           224           225 
      1   0.288516D+01 -0.843444D+01  0.637095D+00 -0.541113D+01  0.132360D+02
      2  -0.361755D+01 -0.550262D+01 -0.603265D+01 -0.359748D+01 -0.463344D+01
      3   0.732390D+00  0.139371D+02  0.539556D+01  0.900861D+01 -0.860252D+01
      4  -0.121724D+02 -0.196481D+02 -0.550903D+01 -0.166966D+02 -0.405636D+02
      5  -0.203254D+02 -0.667064D+02 -0.157561D+02 -0.391642D+02  0.275225D+02
      6  -0.484048D+01 -0.165960D+02 -0.106568D+02 -0.111633D+02  0.827261D+01
               226           227           228           229           230 
      1  -0.923499D+01 -0.188534D+02  0.438535D+01 -0.106316D+02 -0.475856D+02
      2   0.962072D+01  0.200791D+02 -0.316558D+01  0.114801D+02  0.563590D+02
      3  -0.385738D+00 -0.122573D+01 -0.121977D+01 -0.848485D+00 -0.877348D+01
      4   0.421953D+01  0.648634D+01 -0.102161D+01  0.341261D+01 -0.397092D+01
      5  -0.531399D+00 -0.551809D+00  0.115407D+01  0.209648D-01  0.210233D+01
      6  -0.270995D+01 -0.503497D+01  0.393029D+01 -0.290782D+01 -0.133721D+02
               231           232           233           234           235 
      1   0.960385D+01  0.272747D+01  0.990578D+01 -0.255199D+01  0.175478D+02
      2  -0.823651D+01 -0.288914D+01 -0.102708D+02  0.257554D+01  0.170027D+01
      3  -0.136734D+01  0.161670D+00  0.364996D+00 -0.235458D-01 -0.192481D+02
      4   0.954980D+00 -0.470330D+00  0.646659D+00  0.867240D+00 -0.382599D+02
      5  -0.173367D+01  0.225843D+01 -0.938156D-01 -0.191993D+00  0.623648D+01
      6   0.952743D+01  0.902411D-01  0.541688D+01 -0.294216D+01 -0.277776D+01
               236           237           238           239           240 
      1  -0.955190D+01  0.106187D+01 -0.806591D+01 -0.460171D+01  0.416283D+00
      2  -0.773761D+01 -0.154390D-01 -0.130334D+02  0.316134D+02 -0.186433D+01
      3   0.172895D+02 -0.104643D+01  0.210993D+02 -0.270117D+02  0.144804D+01
      4   0.383680D+02 -0.394561D+01  0.443467D+02 -0.612252D+02  0.698840D+01
      5  -0.548047D+01  0.596498D+01 -0.798357D+01  0.952335D+01 -0.793821D+01
      6   0.294789D+01 -0.394113D+01  0.595576D+01 -0.785874D+01  0.762910D+01
               241           242           243           244           245 
      1   0.802375D-01  0.998407D+00 -0.163735D+01  0.172078D+02  0.112486D+02
      2   0.297795D+01 -0.389334D+01  0.215240D+01 -0.678343D+01 -0.359053D+01
      3  -0.305819D+01  0.289493D+01 -0.515058D+00 -0.104244D+02 -0.765811D+01
      4  -0.557851D+01  0.766006D+01 -0.386673D+01  0.202836D+02  0.152008D+02
      5   0.336816D+00 -0.327716D+01  0.190679D+01 -0.449403D+01 -0.295858D+01
      6   0.375431D+00  0.349233D+01 -0.194738D+01 -0.106735D+01 -0.110580D+01
               246           247           248           249           250 
      1  -0.305038D+01  0.155228D+02 -0.108689D+01 -0.583348D+00 -0.403070D+01
      2   0.153418D+01 -0.212265D+01  0.119080D+02 -0.263840D+00  0.162817D+01
      3   0.151619D+01 -0.134001D+02 -0.108211D+02  0.847188D+00  0.240253D+01
      4  -0.361297D+01  0.263064D+02  0.368452D+02 -0.716817D+01 -0.595613D+01
      5   0.293393D+01 -0.505137D+01 -0.575366D+01  0.608082D+01  0.181762D+01
      6   0.118438D+01 -0.233443D+01 -0.399092D+01  0.490195D+01  0.214831D+01
               251           252           253           254           255 
      1  -0.878177D+00 -0.869458D+00 -0.279521D+01 -0.285525D+00 -0.103628D+02
      2  -0.121780D+01  0.158681D+01  0.985252D+00 -0.109837D+00  0.246352D+01
      3   0.209598D+01 -0.717350D+00  0.180995D+01  0.395363D+00  0.789925D+01
      4  -0.780731D+01  0.177356D+01 -0.424578D+01 -0.259437D+01 -0.515526D-01
      5   0.255617D+00 -0.114776D+01 -0.507412D+01  0.325218D+00 -0.803635D+01
      6   0.173157D+01 -0.175938D+01 -0.731476D+00  0.101506D+01 -0.299223D+01
               256           257           258           259           260 
      1   0.656341D+01  0.124615D+01  0.320074D+00 -0.311786D+02 -0.270957D+01
      2  -0.388478D+01  0.301849D+00  0.123561D+01  0.218501D+02  0.290523D+01
      3  -0.267864D+01 -0.154800D+01 -0.155568D+01  0.932850D+01 -0.195668D+00
      4   0.172178D+02  0.173541D+02 -0.159140D+02 -0.177243D+02 -0.169031D+02
      5  -0.117940D+02 -0.145735D+02  0.282668D+02  0.355496D+02  0.234301D+02
      6  -0.411108D+01 -0.653208D+01  0.113863D+02  0.937111D+01  0.101392D+02
               261           262           263           264           265 
      1  -0.203159D+01  0.204749D+03 -0.138649D+02 -0.823082D+01 -0.417001D+02
      2  -0.131755D+02 -0.107844D+03  0.826490D+01  0.528208D+01  0.229549D+02
      3   0.152071D+02 -0.969047D+02  0.559996D+01  0.294874D+01  0.187453D+02
      4   0.256020D+02 -0.449065D+01  0.157354D+02  0.990621D+00  0.195108D+02
      5  -0.665135D+02 -0.121319D+02  0.159276D+01  0.185627D+02  0.320209D+01
      6  -0.157978D+02  0.185925D+01 -0.895037D+00  0.690143D+00 -0.141081D+01
               266           267           268           269           270 
      1   0.176726D+02  0.187229D+01 -0.311985D+01  0.504875D+00  0.140440D+02
      2  -0.852604D+01 -0.943827D+00  0.258193D+01  0.203128D+00 -0.862939D+01
      3  -0.914658D+01 -0.928466D+00  0.537918D+00 -0.708002D+00 -0.541461D+01
      4  -0.949087D+01  0.543991D+00  0.915170D+00  0.156951D+01  0.204995D+01
      5   0.244868D+00 -0.285110D+01  0.216877D+02  0.129496D+01 -0.389896D+01
      6   0.999821D+00  0.143681D+01  0.311132D+00  0.206240D+01 -0.341849D+00
               271           272           273           274           275 
      1   0.490956D+01  0.404486D+01  0.849829D+01  0.222365D+02  0.847616D+01
      2  -0.152613D+01 -0.206866D+01 -0.447683D+01 -0.706193D+01  0.512809D+01
      3  -0.338344D+01 -0.197619D+01 -0.402146D+01 -0.151746D+02 -0.136043D+02
      4   0.177971D+01  0.107929D+01  0.205792D+01  0.344906D+02  0.419111D+02
      5   0.837113D+01  0.115096D+01 -0.415817D+01  0.162006D+02  0.247544D+02
      6   0.165169D+01 -0.242803D+00 -0.205167D+01  0.620873D+01  0.872562D+01
               276           277           278           279 
      1   0.355399D+01  0.332079D+02  0.719931D+01  0.149369D+01
      2   0.289711D+01 -0.149361D+02  0.154539D+00 -0.244638D+01
      3  -0.645110D+01 -0.182718D+02 -0.735385D+01  0.952690D+00
      4   0.251204D+02  0.251833D+02  0.278304D+02  0.268838D+02
      5   0.299419D+02  0.244247D+02  0.261348D+02  0.352000D+02
      6   0.969955D+01  0.868084D+01  0.952987D+01  0.991110D+01
 Leave Link  716 at Mon Aug 16 23:54:38 2021, MaxMem=  5637144576 cpu:               0.6 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l9999.exe)
 AllDun F.D. properties on file 20721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.088559
 Property number 1 -- Alpha(-w,w) frequency  1    0.088559:
                 1             2             3 
      1   0.305334D+03 -0.113324D+02 -0.102239D+02
      2  -0.113324D+02  0.180890D+03 -0.813863D+01
      3  -0.102239D+02 -0.813863D+01  0.125713D+03
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.088559:
                 1             2             3 
      1  -0.108424D+02  0.197126D+02 -0.161786D+02
      2  -0.261969D+02 -0.139401D+02 -0.309470D+02
      3   0.497642D+02 -0.591572D+02  0.223118D+02
 Property number 4 -- D-Q polarizability frequency  1    0.088559:
                 1             2             3 
      1   0.337279D+03 -0.958577D+02 -0.143269D+02
      2  -0.149368D+03  0.785204D+02 -0.120068D+02
      3  -0.187911D+03  0.173373D+02  0.263338D+02
      4  -0.167454D+02  0.125654D+03 -0.456790D+02
      5   0.461343D+02 -0.543253D+02 -0.649374D+02
      6  -0.257046D+02  0.408167D+02  0.259748D+02
 AllDun F.D. properties on file 20722 Mask=       B NFrqRd=     1 NDeriv=    93 ND12= 1 LenFil=    3351:
 Frequencies=    0.088559
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1  -0.382423D+02  0.738183D+01  0.622637D+00 -0.370033D+02  0.111614D+02
      2   0.738183D+01 -0.326658D+01  0.178737D-01  0.111614D+02 -0.110041D+02
      3   0.622637D+00  0.178737D-01  0.651725D-01  0.126616D+00  0.122925D+01
                 6             7             8             9            10 
      1   0.126616D+00  0.970418D+01 -0.281501D+01 -0.917000D+00  0.467244D+02
      2   0.122925D+01 -0.281501D+01  0.182431D+01 -0.138991D+01 -0.101600D+02
      3   0.408872D+00 -0.917000D+00 -0.138991D+01  0.613617D+00 -0.840931D+00
                11            12            13            14            15 
      1  -0.101600D+02 -0.840931D+00  0.346691D+02 -0.966766D+01 -0.242243D-01
      2   0.695881D+01 -0.738552D+00 -0.966766D+01  0.892199D+01 -0.857524D+00
      3  -0.738552D+00 -0.435106D+00 -0.242243D-01 -0.857524D+00 -0.281675D+00
                16            17            18            19            20 
      1  -0.942915D+01  0.279372D+01  0.152344D+01  0.344181D+02 -0.734292D+01
      2   0.279372D+01 -0.174243D+01  0.121336D+01 -0.734292D+01  0.469414D+01
      3   0.152344D+01  0.121336D+01 -0.400497D+00 -0.170709D+00 -0.533291D+00
                21            22            23            24            25 
      1  -0.170709D+00 -0.253477D+02  0.405677D+01 -0.306657D+00  0.323863D+01
      2  -0.533291D+00  0.405677D+01 -0.496721D+01 -0.211153D+00 -0.852534D+00
      3   0.111103D+00 -0.306657D+00 -0.211153D+00 -0.163846D+01 -0.111612D+01
                26            27            28            29            30 
      1  -0.852534D+00 -0.111612D+01 -0.480606D+02  0.585613D+01  0.512899D+00
      2  -0.411735D+00 -0.270948D+01  0.585613D+01 -0.316152D+01 -0.219141D+00
      3  -0.270948D+01  0.163991D+01  0.512899D+00 -0.219141D+00 -0.203640D+01
                31            32            33            34            35 
      1   0.134991D+02 -0.210560D+01 -0.117798D+01 -0.430311D+01 -0.726722D+00
      2  -0.210560D+01  0.907892D+01 -0.130779D+01 -0.726722D+00 -0.811404D+00
      3  -0.117798D+01 -0.130779D+01  0.242189D+00 -0.644905D+01  0.103952D+01
                36            37            38            39            40 
      1  -0.644905D+01 -0.644337D+00 -0.564778D-01  0.146282D+00  0.106320D+02
      2   0.103952D+01 -0.564778D-01 -0.945651D+01  0.150822D+01 -0.165487D+01
      3   0.390073D+00  0.146282D+00  0.150822D+01 -0.216615D+01 -0.499378D+00
                41            42            43            44            45 
      1  -0.165487D+01 -0.499378D+00 -0.246964D+01 -0.424720D+00 -0.478025D+01
      2  -0.120564D+01  0.125433D+01 -0.424720D+00  0.224152D+01  0.322866D+01
      3   0.125433D+01  0.147594D+01 -0.478025D+01  0.322866D+01 -0.794696D+00
                46            47            48            49            50 
      1   0.605140D+01 -0.201857D+01  0.152091D+00  0.185964D+01 -0.203418D+01
      2  -0.201857D+01  0.754037D+01 -0.484001D+00 -0.203418D+01  0.205719D+00
      3   0.152091D+00 -0.484001D+00  0.209453D+01  0.558825D+00  0.101842D+01
                51            52            53            54            55 
      1   0.558825D+00 -0.389870D+00  0.803244D+00  0.990982D+00 -0.113902D+02
      2   0.101842D+01  0.803244D+00  0.977798D+00  0.370825D+01  0.420332D+01
      3   0.786499D+00  0.990982D+00  0.370825D+01 -0.181713D+01 -0.222033D+00
                56            57            58            59            60 
      1   0.420332D+01 -0.222033D+00  0.271846D+01  0.117538D+00 -0.677608D+00
      2  -0.104646D+02  0.107997D+01  0.117538D+00  0.136339D+01 -0.116489D+01
      3   0.107997D+01 -0.217057D+01 -0.677608D+00 -0.116489D+01 -0.858768D+00
                61            62            63            64            65 
      1  -0.893019D-01 -0.885583D+00 -0.145924D+01 -0.240018D+01 -0.232857D+01
      2  -0.885583D+00 -0.808272D+00 -0.336950D+01 -0.232857D+01 -0.144314D+01
      3  -0.145924D+01 -0.336950D+01  0.194018D+01  0.537272D+00  0.315755D+00
                66            67            68            69            70 
      1   0.537272D+00 -0.340286D+01 -0.291593D+01  0.758110D+00  0.891476D+00
      2   0.315755D+00 -0.291593D+01 -0.508949D+01  0.100763D+01  0.703535D+00
      3  -0.507716D+00  0.758110D+00  0.100763D+01 -0.103929D+01 -0.242616D+00
                71            72            73            74            75 
      1   0.703535D+00 -0.242616D+00 -0.465599D+01  0.319760D+01 -0.232317D+00
      2   0.948195D+00 -0.370192D+00  0.319760D+01 -0.346697D+01  0.352758D+00
      3  -0.370192D+00  0.294375D+00 -0.232317D+00  0.352758D+00 -0.389111D+00
                76            77            78            79            80 
      1   0.362079D+01 -0.455267D+01  0.663214D+00 -0.287648D+00  0.726407D+00
      2  -0.455267D+01  0.786039D+01 -0.873308D+00  0.726407D+00 -0.110956D+01
      3   0.663214D+00 -0.873308D+00  0.930348D+00  0.362800D+00  0.315545D+00
                81            82            83            84            85 
      1   0.362800D+00  0.174466D+01  0.216789D+01 -0.476905D+00  0.118870D+01
      2   0.315545D+00  0.216789D+01  0.329518D+01 -0.659372D+00  0.250464D+01
      3  -0.242551D+00 -0.476905D+00 -0.659372D+00  0.488750D+00 -0.443494D+00
                86            87            88            89            90 
      1   0.250464D+01 -0.443494D+00 -0.293693D+00 -0.539716D+00  0.204288D+00
      2   0.895106D+01 -0.157451D+01 -0.539716D+00 -0.185190D+01  0.452302D+00
      3  -0.157451D+01  0.120077D+01  0.204288D+00  0.452302D+00 -0.305210D+00
                91            92            93            94            95 
      1   0.172854D+02 -0.169148D+01  0.418339D+00  0.447737D+01  0.798903D+00
      2  -0.169148D+01  0.143521D+01  0.667561D+00  0.798903D+00 -0.346642D+01
      3   0.418339D+00  0.667561D+00  0.283354D+01  0.298556D+00  0.177041D+01
                96            97            98            99           100 
      1   0.298556D+00 -0.238127D+01  0.124575D+01  0.767058D+01  0.853031D+01
      2   0.177041D+01  0.124575D+01  0.162137D+01 -0.865543D-01 -0.702382D+00
      3   0.897722D+00  0.767058D+01 -0.865543D-01 -0.124810D+01 -0.189405D+01
               101           102           103           104           105 
      1  -0.702382D+00 -0.189405D+01 -0.244005D+01 -0.165807D+01 -0.181258D+00
      2  -0.163929D+01 -0.527073D+00 -0.165807D+01  0.145797D+01 -0.347262D+01
      3  -0.527073D+00 -0.228682D+01 -0.181258D+00 -0.347262D+01 -0.135457D+01
               106           107           108           109           110 
      1   0.579395D+01 -0.909141D+00 -0.505870D+01  0.645687D+01  0.368949D+01
      2  -0.909141D+00 -0.244243D+01 -0.643390D+00  0.368949D+01  0.113172D+01
      3  -0.505870D+01 -0.643390D+00  0.227461D+01 -0.112451D+01 -0.132051D+00
               111           112           113           114           115 
      1  -0.112451D+01  0.405138D+00  0.124499D+01 -0.872807D+00 -0.882190D+01
      2  -0.132051D+00  0.124499D+01  0.450678D+00 -0.700611D+00 -0.147353D+01
      3  -0.102974D+01 -0.872807D+00 -0.700611D+00 -0.293159D+00 -0.423660D+01
               116           117           118           119           120 
      1  -0.147353D+01 -0.423660D+01 -0.395671D+00  0.199830D+01 -0.610570D+00
      2  -0.163591D+01 -0.200999D+00  0.199830D+01 -0.185760D+01 -0.148214D-02
      3  -0.200999D+00  0.420125D+00 -0.610570D+00 -0.148214D-02 -0.122496D+01
               121           122           123           124           125 
      1   0.450233D+01 -0.223532D+01  0.143355D+00 -0.134899D+01  0.131685D+00
      2  -0.223532D+01  0.594753D+01 -0.913915D+00  0.131685D+00 -0.132070D+01
      3   0.143355D+00 -0.913915D+00  0.146593D+01 -0.142301D+01  0.102525D+01
               126           127           128           129           130 
      1  -0.142301D+01  0.212552D+00 -0.562019D+00  0.102106D+00 -0.219816D+01
      2   0.102525D+01 -0.562019D+00  0.769162D+00 -0.281816D+00  0.332822D-01
      3  -0.425021D+00  0.102106D+00 -0.281816D+00  0.127572D+01  0.641258D+00
               131           132           133           134           135 
      1   0.332822D-01  0.641258D+00  0.342755D+00  0.702027D-01  0.150360D+00
      2  -0.399949D+01  0.222098D+01  0.702027D-01  0.160918D+01 -0.115737D+01
      3   0.222098D+01 -0.281915D+01  0.150360D+00 -0.115737D+01  0.182888D+01
               136           137           138           139           140 
      1  -0.153280D+02  0.803814D+00  0.375939D+01  0.480747D+00 -0.112161D+01
      2   0.803814D+00 -0.952637D+00 -0.322090D+00 -0.112161D+01  0.661136D-01
      3   0.375939D+01 -0.322090D+00 -0.261647D+01 -0.248393D+00  0.673813D+00
               141           142           143           144           145 
      1  -0.248393D+00  0.115740D+01  0.103934D+00 -0.115365D+01  0.137659D-02
      2   0.673813D+00  0.103934D+00  0.128193D+00  0.825634D-01  0.725736D+00
      3   0.151180D+00 -0.115365D+01  0.825634D-01  0.391991D+00  0.621068D+00
               146           147           148           149           150 
      1   0.725736D+00  0.621068D+00  0.158749D+01  0.871942D-01 -0.321257D+00
      2   0.104210D+01  0.845519D+00  0.871942D-01  0.302481D+01  0.279788D+01
      3   0.845519D+00  0.206762D+01 -0.321257D+00  0.279788D+01  0.372082D+01
               151           152           153           154           155 
      1   0.318941D+00  0.477332D-01  0.164173D+00 -0.176418D+02 -0.463765D+01
      2   0.477332D-01  0.215631D+01  0.229829D+01 -0.463765D+01 -0.256877D+01
      3   0.164173D+00  0.229829D+01  0.448918D+01  0.465103D+00 -0.460137D+00
               156           157           158           159           160 
      1   0.465103D+00 -0.733605D+01 -0.540579D+01  0.403539D+00  0.838451D+00
      2  -0.460137D+00 -0.540579D+01 -0.398731D+01  0.268463D+00  0.492983D+00
      3  -0.267043D+01  0.403539D+00  0.268463D+00 -0.125761D+01 -0.214078D+01
               161           162           163           164           165 
      1   0.492983D+00 -0.214078D+01 -0.127575D+02 -0.287082D+01 -0.333635D+01
      2   0.109556D+01 -0.942459D+00 -0.287082D+01 -0.308684D+00  0.579379D-01
      3  -0.942459D+00  0.137480D+01 -0.333635D+01  0.579379D-01 -0.120067D+01
               166           167           168           169           170 
      1  -0.634254D+01 -0.708620D+00 -0.884966D+00  0.138549D+01  0.449165D+00
      2  -0.708620D+00 -0.859578D+00 -0.172206D+01  0.449165D+00 -0.365020D+00
      3  -0.884966D+00 -0.172206D+01 -0.197126D+01 -0.599871D+00 -0.986633D+00
               171           172           173           174           175 
      1  -0.599871D+00  0.108804D+02  0.235223D+01  0.141245D+01  0.734614D+01
      2  -0.986633D+00  0.235223D+01  0.683644D+00  0.399594D+00  0.813243D+00
      3  -0.742000D+01  0.141245D+01  0.399594D+00  0.291756D+01  0.125380D+01
               176           177           178           179           180 
      1   0.813243D+00  0.125380D+01  0.457280D+01  0.519297D+00  0.187132D+01
      2   0.354471D+00 -0.565482D+00  0.519297D+00 -0.105397D+01  0.542913D+00
      3  -0.565482D+00  0.150480D+01  0.187132D+01  0.542913D+00 -0.128351D+01
               181           182           183           184           185 
      1   0.107404D+02 -0.132964D+01 -0.782298D-01 -0.751610D+01  0.153696D+01
      2  -0.132964D+01  0.108242D+02 -0.189436D+01  0.153696D+01  0.285408D+01
      3  -0.782298D-01 -0.189436D+01  0.243232D+01  0.831133D+00 -0.164476D+01
               186           187           188           189           190 
      1   0.831133D+00  0.118755D+01  0.337423D+00  0.427407D+01  0.305103D+02
      2  -0.164476D+01  0.337423D+00 -0.268740D+01 -0.333896D+01 -0.491250D+01
      3  -0.132939D+01  0.427407D+01 -0.333896D+01  0.913278D+00 -0.247952D+00
               191           192           193           194           195 
      1  -0.491250D+01 -0.247952D+00 -0.218504D+02  0.253689D+01  0.203485D+01
      2   0.551709D+01 -0.142298D+00  0.253689D+01 -0.137256D+02  0.199664D+01
      3  -0.142298D+00  0.367377D+01  0.203485D+01  0.199664D+01 -0.148401D+01
               196           197           198           199           200 
      1   0.277004D+01  0.934256D+00  0.615730D+01 -0.373288D+02  0.874748D+01
      2   0.934256D+00  0.155789D+01 -0.194240D+01  0.874748D+01 -0.824333D+01
      3   0.615730D+01 -0.194240D+01 -0.227559D+00  0.685133D+00  0.134636D+01
               201           202           203           204           205 
      1   0.685133D+00  0.247232D+02 -0.317916D+01 -0.679974D+00 -0.176805D+01
      2   0.134636D+01 -0.317916D+01  0.673844D+01  0.458363D-01  0.339481D+00
      3  -0.509020D-01 -0.679974D+00  0.458363D-01  0.246761D+01  0.548956D+00
               206           207           208           209           210 
      1   0.339481D+00  0.548956D+00 -0.383779D+01  0.376876D-01  0.176863D+00
      2   0.662341D+00  0.336561D+01  0.376876D-01 -0.249131D+01  0.360816D+00
      3   0.336561D+01 -0.180863D+01  0.176863D+00  0.360816D+00 -0.436200D+00
               211           212           213           214           215 
      1   0.147666D+01  0.251590D+01 -0.346126D+00  0.727286D-01 -0.386172D+00
      2   0.251590D+01 -0.182368D+01  0.309512D+00 -0.386172D+00  0.342599D+00
      3  -0.346126D+00  0.309512D+00  0.119428D+01  0.664090D+00 -0.534088D+00
               216           217           218           219           220 
      1   0.664090D+00 -0.131059D+01  0.212587D+01 -0.306245D+00  0.144718D+01
      2  -0.534088D+00  0.212587D+01  0.236574D+01 -0.654738D+00 -0.210347D+01
      3  -0.999805D-01 -0.306245D+00 -0.654738D+00  0.138553D+01 -0.487994D+00
               221           222           223           224           225 
      1  -0.210347D+01 -0.487994D+00 -0.437516D+00 -0.402606D+00 -0.170865D+01
      2   0.234279D+00 -0.181752D+01 -0.402606D+00 -0.173282D+01 -0.362376D+01
      3  -0.181752D+01 -0.570916D+01 -0.170865D+01 -0.362376D+01  0.269056D+01
               226           227           228           229           230 
      1  -0.141271D+01 -0.176131D+01  0.416267D+00 -0.705736D+00 -0.200612D+01
      2  -0.176131D+01 -0.334299D+01  0.664265D+00 -0.200612D+01 -0.860742D+01
      3   0.416267D+00  0.664265D+00 -0.503549D+00  0.398982D+00  0.152277D+01
               231           232           233           234           235 
      1   0.398982D+00  0.261573D+00  0.501505D+00  0.108169D+00  0.479813D+01
      2   0.152277D+01  0.501505D+00  0.168918D+01 -0.574330D+00 -0.385898D+01
      3  -0.121879D+01  0.108169D+00 -0.574330D+00  0.332051D+00  0.395094D+00
               236           237           238           239           240 
      1  -0.385898D+01  0.395094D+00 -0.454522D+01  0.527480D+01 -0.786694D+00
      2   0.411722D+01 -0.409179D+00  0.527480D+01 -0.813675D+01  0.934620D+00
      3  -0.409179D+00  0.597430D+00 -0.786694D+00  0.934620D+00 -0.103349D+01
               241           242           243           244           245 
      1   0.459785D+00 -0.750771D+00 -0.215282D+00  0.278185D+01  0.248024D+01
      2  -0.750771D+00  0.111018D+01 -0.333507D+00  0.248024D+01  0.143060D+01
      3  -0.215282D+00 -0.333507D+00  0.263176D+00 -0.624133D+00 -0.386630D+00
               246           247           248           249           250 
      1  -0.624133D+00  0.413182D+01  0.302788D+01 -0.769917D+00 -0.946205D+00
      2  -0.386630D+00  0.302788D+01  0.525990D+01 -0.105308D+01 -0.726894D+00
      3   0.330901D+00 -0.769917D+00 -0.105308D+01  0.877074D+00  0.196383D+00
               251           252           253           254           255 
      1  -0.726894D+00  0.196383D+00 -0.114346D+01 -0.487717D+00 -0.339105D+00
      2  -0.109831D+01  0.108544D+00 -0.487717D+00 -0.179886D+00  0.131988D+00
      3   0.108544D+00 -0.133344D+00 -0.339105D+00  0.131988D+00 -0.116663D+01
               256           257           258           259           260 
      1   0.909192D+00  0.143549D+01 -0.102321D+01 -0.388012D+01 -0.139048D+01
      2   0.143549D+01  0.137699D+01 -0.145652D+01 -0.139048D+01 -0.143559D+01
      3  -0.102321D+01 -0.145652D+01  0.255328D+01  0.309092D+01  0.225118D+01
               261           262           263           264           265 
      1   0.309092D+01  0.158120D+02 -0.100902D+01 -0.711428D+00 -0.372271D+01
      2   0.225118D+01 -0.100902D+01  0.100508D+01  0.119174D+00  0.139846D+01
      3  -0.655716D+01 -0.711428D+00  0.119174D+00  0.121315D+01  0.255633D+00
               266           267           268           269           270 
      1   0.139846D+01  0.255633D+00 -0.222882D+00  0.101116D+00  0.146738D+01
      2  -0.746586D+00  0.538106D-01  0.101116D+00  0.144775D+00  0.172687D+00
      3   0.538106D-01 -0.195195D+00  0.146738D+01  0.172687D+00 -0.326188D+00
               271           272           273           274           275 
      1  -0.398226D+00 -0.375923D-01  0.792470D+00  0.273586D+01  0.280480D+01
      2  -0.375923D-01  0.335888D-01 -0.215785D-01  0.280480D+01  0.347256D+01
      3   0.792470D+00 -0.215785D-01 -0.595660D+00  0.136406D+01  0.223138D+01
               276           277           278           279 
      1   0.136406D+01  0.407360D+01  0.198244D+01  0.205562D+01
      2   0.223138D+01  0.198244D+01  0.239806D+01  0.239887D+01
      3   0.260666D+01  0.205562D+01  0.239887D+01  0.323278D+01
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1   0.358596D+01  0.183944D+01 -0.107242D+01  0.353732D+01 -0.201849D+01
      2   0.810913D+01  0.321203D+01 -0.731761D+00  0.820097D+01 -0.513498D+01
      3   0.831303D+01  0.208953D+02 -0.467476D+01  0.274105D+02 -0.244615D+02
                 6             7             8             9            10 
      1   0.142953D+00 -0.605479D+01  0.868122D+01 -0.133814D+01 -0.798724D+00
      2   0.275979D+01 -0.206744D+02  0.412161D+01  0.597896D-01 -0.617304D+01
      3   0.276273D+01 -0.133251D+01  0.196496D+01  0.531604D+00  0.274681D+02
                11            12            13            14            15 
      1   0.306555D+01 -0.925616D+00 -0.115063D+01  0.103235D+01  0.935107D+00
      2   0.443868D+01 -0.687757D+01  0.293798D+00 -0.380610D+01  0.489538D+00
      3   0.190270D+02 -0.415291D+01  0.540168D+02 -0.314462D+02  0.272731D+01
                16            17            18            19            20 
      1  -0.622784D+01  0.870074D+01 -0.135533D+01 -0.416254D+01 -0.442406D+00
      2  -0.206058D+02  0.376779D+01  0.812526D+00 -0.908990D+01 -0.251206D+01
      3  -0.763244D+01  0.327197D+01 -0.171681D+00 -0.410765D+01 -0.220110D+02
                21            22            23            24            25 
      1   0.578406D+00 -0.349689D+00  0.313916D+00 -0.131069D+01 -0.817565D+01
      2   0.102784D+01  0.189075D+01  0.160762D+01  0.792082D+00 -0.176501D+02
      3   0.471207D+01 -0.534337D+01  0.474638D+01 -0.188884D+01  0.640288D+01
                26            27            28            29            30 
      1   0.436954D+01 -0.121856D+01  0.499612D+00  0.155442D+01  0.391240D+00
      2   0.761274D+01 -0.858299D+00  0.685662D+01  0.154288D+01  0.722882D-01
      3  -0.206701D+01 -0.633271D+00 -0.241485D+02  0.111678D+02 -0.135899D+01
                31            32            33            34            35 
      1   0.529944D+01  0.364482D+01  0.121072D+01  0.438061D+01  0.127651D+02
      2  -0.514764D-01  0.653871D+00  0.545835D+00 -0.142064D+02  0.775659D+00
      3   0.302564D+02 -0.358298D-01 -0.158742D+01 -0.169951D+01 -0.324213D+01
                36            37            38            39            40 
      1  -0.205064D+01  0.200397D+00 -0.116986D+00  0.582735D+01  0.135909D+01
      2   0.117740D+01 -0.346203D+01 -0.101337D+01  0.762263D+00 -0.299439D+01
      3  -0.247581D+01 -0.937741D+01 -0.337715D+01  0.975922D-01  0.121287D+02
                41            42            43            44            45 
      1  -0.976527D+00 -0.269740D+01  0.162122D+02  0.136415D+01 -0.397094D+00
      2  -0.322422D+01 -0.163064D+01 -0.998419D+01 -0.659364D+01  0.230135D+01
      3  -0.674568D+01  0.340431D+00 -0.341448D+01  0.168226D+01 -0.501447D+01
                46            47            48            49            50 
      1  -0.100737D+01 -0.193102D+01 -0.573292D+01 -0.238023D+01  0.659738D+00
      2   0.350155D+01 -0.308668D+01  0.220812D+01 -0.545794D+01  0.509391D+01
      3   0.227824D+02 -0.213657D+02  0.329492D+01 -0.889279D+01  0.229905D+02
                51            52            53            54            55 
      1  -0.231881D+01 -0.107529D+02 -0.212407D+01  0.287842D+01  0.151445D+01
      2  -0.116640D+01 -0.152119D+02  0.161581D+01  0.134886D+01  0.555707D+01
      3  -0.268262D+01  0.370145D+01 -0.227947D+01  0.495902D+01  0.320007D+02
                56            57            58            59            60 
      1  -0.385850D+01 -0.587034D+01 -0.219391D+01  0.131215D+01 -0.188531D+01
      2  -0.380248D+01 -0.409595D+01 -0.547123D+01  0.360590D+01 -0.195655D+01
      3  -0.113477D+02  0.234048D+01 -0.662193D+01  0.232654D+02 -0.137645D+01
                61            62            63            64            65 
      1  -0.107867D+02 -0.148018D+01  0.205241D+01 -0.297478D+00 -0.557258D+00
      2  -0.205429D+02 -0.161455D+01  0.492118D+01  0.113783D+01  0.746595D+00
      3   0.451789D+01 -0.960082D+00  0.118709D+02  0.183124D+01 -0.287418D+00
                66            67            68            69            70 
      1  -0.181000D+01 -0.722921D+00 -0.155285D+01 -0.301961D+01 -0.872328D+00
      2   0.592492D+00  0.123099D+01 -0.224407D-01  0.200925D+01 -0.277154D+01
      3   0.838814D-01  0.405295D+01 -0.521671D+01  0.798928D+00 -0.239727D+00
                71            72            73            74            75 
      1   0.230471D+01  0.352233D+00 -0.268017D+00  0.223387D+00  0.234720D+01
      2  -0.669339D+00 -0.300501D-01 -0.782129D+00 -0.212937D+00  0.139904D+01
      3   0.805237D+00  0.545021D+00 -0.850016D+01  0.109219D+01  0.616710D-01
                76            77            78            79            80 
      1  -0.113430D+01  0.795259D+00 -0.433024D+01 -0.291077D+01  0.177643D+01
      2  -0.476636D+00  0.687455D+00 -0.250136D+01 -0.196932D+01  0.284829D-01
      3   0.429992D+01  0.156953D+01  0.397839D+00  0.431204D+00 -0.419322D+00
                81            82            83            84            85 
      1   0.542868D+00  0.790608D+00  0.497337D+00 -0.221503D+01  0.680350D+00
      2   0.541763D+00  0.998335D+00  0.380993D+00  0.106418D+01  0.721998D+00
      3   0.106883D+01  0.734391D+01  0.267806D+01 -0.109179D+01  0.577442D+01
                86            87            88            89            90 
      1   0.131894D+01 -0.493270D+01  0.100764D+01  0.212495D+01  0.501628D+00
      2   0.710981D+00  0.150684D+01 -0.128582D+01  0.646781D+00 -0.647347D+00
      3   0.372527D+01 -0.120621D+01 -0.119698D+01 -0.138402D+01 -0.530693D+00
                91            92            93            94            95 
      1   0.311366D+01  0.981172D+00 -0.175968D+01  0.559182D+01 -0.469529D+00
      2  -0.794884D+01 -0.168722D+01 -0.558851D+01 -0.219954D+01 -0.806966D+01
      3   0.137539D+02 -0.122480D+01  0.239471D+01  0.204566D+02 -0.187917D+02
                96            97            98            99           100 
      1  -0.236989D+01 -0.232299D+01  0.503954D+01  0.856606D+00  0.167253D+01
      2  -0.131577D+01 -0.330198D+02  0.948480D-01  0.247858D+01 -0.114606D+02
      3   0.748246D+01  0.779200D+00  0.106080D+02  0.744168D+01  0.729353D+00
               101           102           103           104           105 
      1  -0.624645D+01  0.372790D+00 -0.303163D+01  0.432845D+01 -0.114167D+02
      2   0.200941D+01  0.169487D+02 -0.348694D+00  0.186040D+02  0.584622D+01
      3  -0.140062D+02 -0.119506D+01 -0.929962D+01  0.856174D+01 -0.153300D+02
               106           107           108           109           110 
      1   0.292593D+01 -0.596712D+01 -0.498512D+01 -0.487511D+01  0.175949D+01
      2   0.163722D+02  0.271684D+01 -0.302226D+01  0.123986D+02  0.390196D+01
      3   0.530482D+01 -0.144179D+02 -0.705558D+01 -0.565975D+01  0.100858D+02
               111           112           113           114           115 
      1   0.106739D+02 -0.106356D+02 -0.687359D+01 -0.830268D+01  0.918930D+01
      2   0.177462D+01  0.697588D+01  0.316947D+01 -0.107028D+02  0.843696D+01
      3  -0.610462D+01  0.827148D+01  0.170174D+02 -0.118058D+01 -0.167350D+02
               116           117           118           119           120 
      1  -0.616020D+00  0.636740D+01  0.122485D+01 -0.104101D+01  0.107116D+01
      2  -0.171949D+01  0.171110D+01  0.271988D+01 -0.856929D+00  0.520146D+01
      3  -0.687421D+01 -0.480646D+01  0.915291D+01 -0.643177D+01 -0.280377D+00
               121           122           123           124           125 
      1  -0.129766D+01  0.230342D+01 -0.318985D+01  0.988119D+00 -0.265712D+00
      2  -0.154343D+01  0.440384D+01 -0.537025D+01  0.263484D+01 -0.333414D+01
      3  -0.819313D-01  0.207915D+02 -0.354388D+01 -0.129839D+01 -0.521578D+01
               126           127           128           129           130 
      1   0.495142D+00 -0.246450D+01  0.282456D+01 -0.484585D+00  0.109621D+01
      2   0.175657D+01 -0.291392D+01  0.284502D+01 -0.445852D+01  0.299112D+01
      3   0.217776D+01 -0.457019D+01  0.395796D+01 -0.125647D+01  0.350317D+01
               131           132           133           134           135 
      1  -0.108802D+02  0.340318D+01  0.491874D-01  0.524061D+01 -0.261544D+01
      2  -0.100019D+02  0.972023D+01 -0.188807D+01  0.431190D+01 -0.714912D+01
      3  -0.168401D+02  0.914672D+01  0.465172D+00  0.598073D+01 -0.475777D+01
               136           137           138           139           140 
      1  -0.146537D+01 -0.285613D+01  0.839583D+00 -0.208601D+01 -0.810039D+00
      2   0.110686D+02  0.119686D+00  0.833906D+01  0.193327D+00 -0.916237D+00
      3  -0.463044D+01 -0.656147D+01  0.490630D+00 -0.322137D+01 -0.738067D+00
               141           142           143           144           145 
      1   0.206550D+00 -0.202930D+00  0.137533D+01  0.497997D-02  0.174624D+01
      2   0.138961D-01  0.113241D+01  0.485883D+00  0.829844D+00 -0.475408D+01
      3   0.233236D+01 -0.804427D+00  0.275720D+01 -0.575070D+00  0.339465D+01
               146           147           148           149           150 
      1   0.326576D+01  0.182801D+00  0.183547D+01  0.589555D+01  0.217219D+01
      2  -0.462879D+01 -0.846010D+01 -0.306329D+01 -0.117128D+02 -0.137549D+02
      3   0.454781D+01  0.315154D+01  0.376774D+01  0.108954D+02  0.989227D+01
               151           152           153           154           155 
      1  -0.201659D+00  0.534837D+01  0.242492D+01  0.407007D+01  0.433184D+00
      2  -0.426666D+01 -0.935606D+01 -0.170760D+02 -0.110490D+02 -0.600580D+00
      3   0.785095D-01  0.779884D+01  0.861150D+01 -0.860532D+01 -0.216732D+02
               156           157           158           159           160 
      1  -0.635828D+01  0.743151D+01  0.424295D+01 -0.363755D+01 -0.298177D+01
      2   0.213428D+02 -0.146311D+01 -0.422924D+01  0.119214D+02  0.478704D+01
      3  -0.984032D+00 -0.175995D+02 -0.233732D+02  0.736483D-01  0.381896D+01
               161           162           163           164           165 
      1   0.163670D+01  0.143242D+01  0.640887D+01  0.260675D+01 -0.315295D+01
      2   0.299998D+01 -0.865733D+01 -0.131073D+02 -0.529545D+01  0.331589D+01
      3   0.456896D+01 -0.248512D+01 -0.881058D+01 -0.406155D+01  0.899586D+00
               166           167           168           169           170 
      1   0.786011D+01  0.437431D+01  0.221513D+01 -0.157886D+01  0.787466D+01
      2  -0.104070D+02  0.525084D+01  0.825940D+01 -0.341830D+01  0.327015D+01
      3   0.563223D-01 -0.459001D+01 -0.915093D+01  0.620174D+01 -0.194677D+01
               171           172           173           174           175 
      1  -0.293905D+01 -0.777994D+01 -0.359498D+01  0.474377D+00 -0.917250D+01
      2   0.242181D+02  0.228525D+02  0.390619D+01 -0.785164D+01  0.942843D+01
      3  -0.308469D+01  0.262932D+01  0.274247D+01  0.225580D+01  0.863656D+01
               176           177           178           179           180 
      1  -0.280570D+01 -0.182949D+01 -0.984033D-02 -0.127624D+00 -0.677680D+00
      2   0.376299D+01 -0.441266D+01 -0.275994D+01 -0.103335D+01  0.550359D+01
      3   0.936948D+00  0.352539D+00  0.188844D+01  0.767769D+00  0.744432D+00
               181           182           183           184           185 
      1  -0.571972D+00  0.236729D+01  0.603806D+01  0.247754D+01 -0.109910D+01
      2  -0.694760D+01 -0.181300D+01  0.703061D+01 -0.149269D+01 -0.785231D+01
      3  -0.304809D+02 -0.131401D+02  0.270005D+01 -0.116293D+02 -0.267721D+02
               186           187           188           189           190 
      1  -0.239162D+01  0.152929D+02  0.319652D+01 -0.237027D+01 -0.870119D+00
      2  -0.199766D+01 -0.251746D+01 -0.109006D+02  0.158698D+01 -0.352597D+01
      3   0.628386D+01  0.361311D+01  0.778289D+01 -0.194689D+01  0.108957D+02
               191           192           193           194           195 
      1   0.328085D+01 -0.459052D+00  0.344555D+01  0.226019D+01  0.366806D+01
      2   0.445949D+01  0.288072D+00  0.133826D+02  0.179395D+01 -0.320468D+01
      3   0.211158D+02 -0.443170D+01  0.520997D+02  0.190872D+02 -0.590835D+01
               196           197           198           199           200 
      1  -0.383554D+01  0.141200D+02 -0.321215D+01  0.557015D-01 -0.206256D+01
      2  -0.173202D+01 -0.510337D+01  0.963331D+00  0.222755D+01 -0.190595D+01
      3  -0.980470D+01 -0.440046D+01  0.547524D+01 -0.215034D+02 -0.116283D+02
               201           202           203           204           205 
      1   0.221518D+00 -0.204888D+01  0.122561D+01 -0.359420D+01 -0.395630D+01
      2   0.453388D+01 -0.815716D+01  0.447553D+01  0.497199D+01 -0.169654D+02
      3   0.236578D+01 -0.415889D+01  0.797733D+00 -0.183663D+01  0.547725D+01
               206           207           208           209           210 
      1   0.374524D+01  0.355685D+00  0.882819D+00 -0.319825D+01  0.572756D+00
      2   0.143447D+02 -0.414032D+01  0.248142D+01 -0.539944D+01  0.129043D+02
      3  -0.353844D+01 -0.598439D+01  0.679687D+01 -0.413328D+02  0.496791D+01
               211           212           213           214           215 
      1   0.143710D+00 -0.113867D+01 -0.655777D+01  0.263157D+01 -0.119476D+01
      2  -0.158232D+01  0.224000D+01  0.747949D+01 -0.531249D+01 -0.313755D+01
      3  -0.488693D+01  0.100647D+02 -0.239344D+01  0.131710D+01  0.187917D+01
               216           217           218           219           220 
      1   0.126322D+01 -0.124744D+01  0.517231D+00 -0.114936D+01  0.323770D+01
      2  -0.122371D+01 -0.621938D+01 -0.133439D+01  0.756191D+01 -0.256305D+01
      3   0.907747D+00 -0.340205D+02 -0.216854D+01  0.372367D+01  0.121904D+02
               221           222           223           224           225 
      1   0.406592D+01  0.666863D+01  0.126854D+02  0.715913D+01 -0.196569D+01
      2  -0.710871D+01 -0.349685D+02 -0.888005D+01 -0.220306D+02  0.167936D+02
      3   0.210088D+02  0.729674D+01  0.327885D+01  0.581536D+01  0.280218D+02
               226           227           228           229           230 
      1   0.231611D+00 -0.364140D+00 -0.214315D+01 -0.237463D-02 -0.828931D+00
      2   0.200609D+01  0.174973D+01 -0.531808D-01  0.141664D+01  0.363290D+01
      3   0.945014D+01  0.748412D+01 -0.197718D+01  0.708784D+01  0.181016D+02
               231           232           233           234           235 
      1  -0.447126D+01  0.122688D+01  0.218225D+01  0.412511D+00 -0.783358D+00
      2  -0.715692D+00 -0.507081D+00 -0.116074D+01  0.524406D-01 -0.901397D+00
      3  -0.363487D+01 -0.203200D+01 -0.385576D+01  0.389972D+00 -0.301739D+00
               236           237           238           239           240 
      1   0.870315D+00  0.237465D+01 -0.221607D+00 -0.879168D+00 -0.399866D+01
      2  -0.385769D-01  0.273352D+01 -0.100354D+01  0.116383D+01 -0.411742D+01
      3  -0.629640D+01  0.620232D+00 -0.546308D+01  0.163486D+02 -0.135275D+01
               241           242           243           244           245 
      1  -0.300095D+01  0.153358D+01  0.566784D+00  0.296912D+00 -0.743165D-01
      2  -0.256091D+01 -0.102498D+01  0.121522D+01 -0.599502D+00 -0.921568D+00
      3   0.182472D+01 -0.218847D+01  0.163907D+01 -0.235136D+00 -0.304579D+01
               246           247           248           249           250 
      1  -0.116135D+01  0.233069D+00 -0.298144D+00 -0.297045D+01 -0.475291D+00
      2   0.108852D+01 -0.817441D+00 -0.279218D+01  0.318697D+01 -0.144742D+01
      3   0.516744D+00  0.115566D+00 -0.136014D+02  0.229586D+01  0.342441D+00
               251           252           253           254           255 
      1   0.159348D+01  0.395169D+00 -0.583448D+00  0.677596D+00  0.169025D+01
      2  -0.912449D+00 -0.129345D+00 -0.508448D+01  0.100688D+01 -0.598865D+01
      3   0.295682D+01  0.211809D+00  0.101494D+01  0.314129D+01 -0.260637D+01
               256           257           258           259           260 
      1  -0.182128D+00 -0.236116D+00 -0.243142D+01 -0.290260D+01  0.151289D+01
      2  -0.433710D+01 -0.795465D+01  0.146069D+02  0.102004D+02  0.131334D+02
      3  -0.511683D+01 -0.126261D+02  0.990368D+01  0.521304D+01  0.115907D+02
               261           262           263           264           265 
      1   0.556347D+01  0.680078D+00 -0.596186D+00 -0.451166D+00 -0.542497D+00
      2  -0.359763D+02  0.104995D+01  0.138824D+00  0.938738D+01  0.380307D+00
      3  -0.177031D+02  0.148203D+02 -0.102086D+02 -0.952638D+00 -0.793115D+01
               266           267           268           269           270 
      1   0.121566D+00 -0.754255D+00 -0.116877D+01  0.736999D-01  0.166340D+00
      2   0.791174D+00 -0.131830D+01  0.666322D+01  0.102768D+01 -0.163853D+01
      3   0.545530D+01 -0.473792D+00 -0.867210D+00 -0.782515D+00 -0.119195D+01
               271           272           273           274           275 
      1   0.201007D+00  0.175860D+00  0.108990D+01 -0.196432D+01 -0.295844D+01
      2   0.594206D+01  0.581426D+00 -0.261431D+01  0.632328D+01  0.111771D+02
      3  -0.175834D+01  0.178643D+01  0.460162D+00 -0.112103D+02 -0.257919D+02
               276           277           278           279 
      1  -0.506873D+01 -0.383859D+01 -0.149705D+01 -0.557759D+01
      2   0.150237D+02  0.728273D+01  0.133028D+02  0.173874D+02
      3  -0.136516D+02 -0.759938D+01 -0.166585D+02 -0.161795D+02
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1  -0.802664D+02  0.403150D+02 -0.379834D+01 -0.733658D+02  0.292133D+01
      2   0.396864D+02 -0.264541D+02  0.317932D+01  0.378629D+02  0.671799D+01
      3   0.405801D+02 -0.138610D+02  0.619022D+00  0.355029D+02 -0.963932D+01
      4   0.210367D+02  0.101784D+02 -0.284993D+01  0.109140D+02 -0.202082D+02
      5  -0.631414D+01 -0.347542D+01  0.380919D-01 -0.535835D+01  0.674500D+01
      6   0.342056D+01  0.111390D+01  0.233727D+01  0.417411D+01 -0.552248D+01
                 6             7             8             9            10 
      1   0.248058D+01  0.186374D+02 -0.474120D+01 -0.990041D+01  0.120598D+03
      2  -0.408006D+01 -0.805381D+01  0.178515D+01 -0.967764D+00 -0.563838D+02
      3   0.159948D+01 -0.105836D+02  0.295604D+01  0.108682D+02 -0.642139D+02
      4   0.378966D+01 -0.321901D+01  0.300313D+01 -0.576373D+00  0.784146D+01
      5   0.376102D+01  0.126274D+01 -0.113877D+01  0.912082D-01 -0.772014D+00
      6   0.232324D+00  0.185449D+01  0.402070D+01  0.926355D+00 -0.785973D+01
                11            12            13            14            15 
      1  -0.409515D+01 -0.833585D+01  0.594530D+02 -0.315554D+02  0.137405D+01
      2  -0.458013D+00  0.368585D+01 -0.215123D+02  0.228252D+02 -0.405032D+01
      3   0.455317D+01  0.465000D+01 -0.379407D+02  0.873022D+01  0.267627D+01
      4   0.125080D+02 -0.506187D+01 -0.271950D+02  0.173103D+02 -0.916425D+00
      5  -0.706593D+01 -0.117931D+02  0.886567D+01 -0.248425D+01 -0.334982D+00
      6   0.364490D+01  0.966796D+00 -0.400990D+01 -0.700401D+00 -0.182201D+01
                16            17            18            19            20 
      1  -0.190141D+02  0.548503D+01 -0.490279D+01  0.428049D+02 -0.454935D+02
      2   0.853022D+01 -0.360160D+01 -0.249373D+01 -0.201262D+02  0.324182D+02
      3   0.104839D+02 -0.188344D+01  0.739651D+01 -0.226787D+02  0.130752D+02
      4   0.575982D+01 -0.233205D+01  0.523118D+01 -0.235539D+02 -0.119097D+02
      5   0.131949D+01  0.450946D+01  0.410120D+00  0.850773D+01  0.401794D+01
      6   0.535117D+01  0.411251D+01  0.147212D+01 -0.327317D+01 -0.191249D+00
                21            22            23            24            25 
      1   0.558834D+01  0.755973D+01  0.322801D+02 -0.480051D+01 -0.442963D+01
      2  -0.405441D+01 -0.212411D+02 -0.312098D+02  0.588896D+01  0.698428D+01
      3  -0.153393D+01  0.136813D+02 -0.107036D+01 -0.108845D+01 -0.255465D+01
      4   0.293042D+01  0.147746D+02 -0.303630D+01  0.313723D+01 -0.116032D+01
      5  -0.256912D+01 -0.562009D+01  0.333316D+01  0.677331D+01  0.508616D+01
      6   0.611802D+00  0.978955D+01  0.536898D+01  0.168758D+01  0.288396D+01
                26            27            28            29            30 
      1  -0.175638D+01 -0.690876D+01  0.135502D+02  0.142320D+00  0.321755D+01
      2   0.531303D+01 -0.669808D+01 -0.275578D+02 -0.294734D+01 -0.155261D+01
      3  -0.355665D+01  0.136068D+02  0.140076D+02  0.280502D+01 -0.166494D+01
      4   0.512486D+01  0.394975D+01 -0.688259D+00  0.130765D+02  0.591298D+00
      5   0.863313D+01 -0.231381D+01 -0.114663D+02  0.205881D+01  0.846101D+01
      6   0.422206D+01 -0.232858D+00  0.115692D+02 -0.135774D+01 -0.315963D+01
                31            32            33            34            35 
      1   0.156620D+02 -0.627937D+02  0.729307D+01 -0.358915D+01  0.102345D+02
      2  -0.504164D+01  0.582931D+02 -0.112664D+02 -0.615388D+00 -0.109282D+02
      3  -0.106203D+02  0.450057D+01  0.397332D+01  0.420454D+01  0.693751D+00
      4  -0.353967D+02 -0.121574D+02  0.421936D+01  0.139760D+02  0.376226D+01
      5   0.107537D+02  0.493934D+01 -0.107881D+01  0.326065D+02 -0.540009D+01
      6  -0.202148D+01 -0.534891D+01 -0.228112D+01 -0.688226D+01  0.610312D+01
                36            37            38            39            40 
      1  -0.425584D+00 -0.504769D+01  0.678544D+02 -0.131171D+02 -0.202947D+02
      2  -0.796122D+01 -0.433203D+00 -0.516866D+02  0.708153D+01  0.226791D+02
      3   0.838681D+01  0.548090D+01 -0.161678D+02  0.603554D+01 -0.238439D+01
      4  -0.534261D+00  0.198994D+02 -0.113141D+02 -0.685966D+00  0.159580D+02
      5   0.437861D+00 -0.385710D+01 -0.375681D+01  0.247291D+01  0.275364D+01
      6   0.527557D+01 -0.364323D+01  0.322759D+01 -0.114186D+02 -0.102755D+02
                41            42            43            44            45 
      1   0.241711D+02 -0.786982D+01  0.630913D+01 -0.136596D+02 -0.133736D+02
      2  -0.277242D+02  0.723057D+01 -0.973376D+01  0.151446D+02  0.337704D+01
      3   0.355315D+01  0.639249D+00  0.342463D+01 -0.148501D+01  0.999660D+01
      4   0.171986D+02 -0.736846D+01  0.536807D+00 -0.568008D+01 -0.679643D+01
      5  -0.847889D+01 -0.683325D+01  0.190112D+02 -0.793955D+01  0.361605D+01
      6   0.829657D+01  0.529277D+01 -0.182209D+02  0.171396D+02  0.425251D+00
                46            47            48            49            50 
      1   0.250602D+01 -0.541447D+02  0.789168D+01  0.263968D+02  0.608735D+01
      2  -0.228211D+01  0.421853D+02 -0.292843D+01 -0.234835D+02 -0.117669D+02
      3  -0.223908D+00  0.119594D+02 -0.496325D+01 -0.291335D+01  0.567953D+01
      4  -0.163442D+02 -0.886790D+01  0.421072D+01  0.104937D+02 -0.112019D+02
      5   0.524355D+01  0.607349D+01  0.404395D+00 -0.238774D+01  0.207389D+01
      6   0.395752D+01  0.966643D+00  0.102015D+02  0.312011D+01  0.105468D+02
                51            52            53            54            55 
      1  -0.730230D+01 -0.517570D+01 -0.231165D+01 -0.219176D+02 -0.200975D+02
      2   0.797604D+01  0.634912D+01  0.911662D+01  0.923768D+01  0.775337D+01
      3  -0.673743D+00 -0.117343D+01 -0.680498D+01  0.126799D+02  0.123441D+02
      4   0.330374D+01  0.154620D+01  0.628682D+01  0.572406D+01  0.446979D+01
      5   0.553842D+00  0.509198D+01  0.236527D+01  0.283796D+00 -0.270601D+01
      6   0.440372D+01  0.419442D+01  0.214645D+02 -0.504341D+01  0.337279D+01
                56            57            58            59            60 
      1  -0.396449D+02  0.634816D+01  0.945015D+01  0.180296D+02 -0.892836D+01
      2   0.335698D+02 -0.109023D+01 -0.107868D+02 -0.183780D+02  0.849177D+01
      3   0.607510D+01 -0.525793D+01  0.133664D+01  0.348377D+00  0.436586D+00
      4  -0.481666D+02  0.759045D+01  0.128447D+02 -0.574917D+01 -0.609759D+00
      5   0.109044D+02 -0.104477D+02 -0.244578D+01 -0.202680D+01 -0.991576D+00
      6  -0.205391D+01  0.117606D+02  0.324286D+01  0.976204D+01  0.317818D+01
                61            62            63            64            65 
      1  -0.178858D+01 -0.563550D+01 -0.265895D+02  0.352589D+01 -0.147397D+01
      2   0.477846D+01  0.114903D+02  0.896176D+01 -0.697707D+00  0.265597D+01
      3  -0.298988D+01 -0.585479D+01  0.176278D+02 -0.282818D+01 -0.118200D+01
      4  -0.279863D+01  0.319632D+01 -0.573816D+01  0.929384D+01  0.100419D+02
      5  -0.171979D+01 -0.100242D+02  0.641206D+01 -0.262900D+01 -0.208575D+01
      6   0.546665D+01  0.184581D+02 -0.624400D+01 -0.170017D+01 -0.148509D+01
                66            67            68            69            70 
      1   0.371434D+00 -0.359586D+01 -0.147097D+02  0.338204D+01  0.723444D-01
      2   0.147341D+00  0.571470D+01  0.174159D+02 -0.143561D+01  0.826194D-01
      3  -0.518776D+00 -0.211884D+01 -0.270614D+01 -0.194643D+01 -0.154964D+00
      4  -0.158365D+01  0.137058D+02  0.183182D+02 -0.320830D+01 -0.286894D+01
      5   0.314152D+01 -0.359791D+01 -0.337727D+01  0.400530D+01  0.169604D+01
      6   0.156967D+01 -0.292438D+01 -0.599318D+01  0.537023D+01  0.217878D+01
                71            72            73            74            75 
      1   0.207732D+01 -0.296877D+01 -0.767619D+00  0.745095D+01 -0.898930D+00
      2  -0.185504D+01  0.220083D+01  0.994371D+01 -0.164929D+02  0.141453D+01
      3  -0.222279D+00  0.767940D+00 -0.917609D+01  0.904196D+01 -0.515599D+00
      4  -0.340077D+01  0.234414D+01 -0.221601D+02  0.223337D+02 -0.233633D+01
      5   0.923295D+00 -0.140169D+01  0.182382D+01 -0.241405D+01  0.318071D+01
      6   0.313318D+01 -0.215637D+01 -0.104873D+01  0.149625D+01 -0.316363D+01
                76            77            78            79            80 
      1   0.116624D+02 -0.293829D+02  0.345201D+01 -0.233428D+01  0.435490D+01
      2  -0.224040D+02  0.470807D+02 -0.418209D+01  0.413730D+01 -0.629519D+01
      3   0.107417D+02 -0.176978D+02  0.730076D+00 -0.180302D+01  0.194029D+01
      4   0.243773D+02 -0.331275D+02  0.363603D+01 -0.324712D+01  0.404754D+01
      5  -0.325843D+01  0.409434D+01 -0.394486D+01  0.215378D+00 -0.181440D+01
      6   0.356860D+01 -0.509651D+01  0.719167D+01  0.130708D+01  0.287979D+01
                81            82            83            84            85 
      1  -0.146616D+01 -0.576396D+01 -0.109466D+02  0.252413D+01 -0.956875D+01
      2   0.248270D+01  0.987901D+01  0.174589D+02 -0.268402D+01  0.136620D+02
      3  -0.101654D+01 -0.411505D+01 -0.651235D+01  0.159891D+00 -0.409324D+01
      4  -0.243048D+01  0.117895D+02  0.192301D+02 -0.333873D+01  0.129057D+02
      5   0.106000D+01 -0.133423D+01 -0.191590D+01  0.301020D+01 -0.139275D+01
      6  -0.186981D+01 -0.251526D+01 -0.395828D+01  0.372369D+01 -0.284682D+01
                86            87            88            89            90 
      1  -0.406514D+02  0.775776D+01  0.202945D+01  0.828948D+01 -0.236834D+01
      2   0.571606D+02 -0.839239D+01 -0.299228D+01 -0.105239D+02  0.258847D+01
      3  -0.165092D+02  0.634633D+00  0.962826D+00  0.223446D+01 -0.220122D+00
      4   0.266793D+02 -0.435236D+01 -0.324507D+01 -0.497207D+01  0.312551D+01
      5  -0.189568D+01  0.230299D+01  0.108097D+01  0.272759D+01 -0.142089D+01
      6  -0.106293D+02  0.927848D+01  0.785234D+00  0.456059D+01 -0.280962D+01
                91            92            93            94            95 
      1  -0.875909D+01  0.196945D+01 -0.150642D+02 -0.343054D+01 -0.141319D+01
      2   0.136376D+02  0.264214D+01  0.164723D+01  0.101462D+02 -0.110671D+02
      3  -0.487852D+01 -0.461159D+01  0.134170D+02 -0.671566D+01  0.124802D+02
      4  -0.393524D+01 -0.131164D+02 -0.331167D+01 -0.144217D+02  0.366159D+02
      5  -0.167229D+01 -0.412253D+01 -0.191207D+02  0.286728D+01 -0.128031D+02
      6  -0.479645D+01  0.193226D+01  0.130129D+01 -0.382708D+01  0.354307D+01
                96            97            98            99           100 
      1  -0.143091D+01 -0.920296D+00 -0.411760D+01 -0.208006D+02 -0.730829D+02
      2   0.563372D+00 -0.122032D+02  0.891333D+01  0.187877D+02  0.409891D+02
      3   0.867533D+00  0.131235D+02 -0.479573D+01  0.201288D+01  0.320938D+02
      4  -0.144231D+02 -0.725094D+01 -0.156121D+02 -0.344220D+01  0.123501D+02
      5  -0.292619D+01 -0.599192D+02  0.184202D+01  0.128044D+02  0.396737D+02
      6   0.438528D+01  0.244512D+01 -0.600805D+00 -0.899295D+00 -0.384514D+01
               101           102           103           104           105 
      1   0.793314D+01  0.291400D+02  0.444259D+01  0.300153D+02  0.891467D+01
      2  -0.354569D+01 -0.789196D+01 -0.570232D+01 -0.513647D+01  0.751871D-01
      3  -0.438745D+01 -0.212481D+02  0.125973D+01 -0.248788D+02 -0.898986D+01
      4   0.180936D+02  0.131987D+01  0.168814D+02 -0.148720D+02  0.232799D+02
      5   0.876194D+00  0.106546D+02  0.654775D+00  0.154937D+02  0.631971D+01
      6  -0.113198D+02 -0.315298D+01 -0.631354D+01  0.400845D+01 -0.193157D+02
               106           107           108           109           110 
      1   0.414624D+01  0.828253D+01  0.200923D+02 -0.763846D+02 -0.249800D+02
      2   0.155564D+02 -0.338952D+01 -0.210090D+02  0.286571D+02  0.380913D+01
      3  -0.197027D+02 -0.489301D+01  0.916759D+00  0.477275D+02  0.211708D+02
      4   0.208676D+01  0.199002D+02  0.416210D+01 -0.432782D+02 -0.256789D+02
      5   0.376402D+02  0.135991D+01 -0.259910D+02  0.240455D+01 -0.334341D+01
      6  -0.325801D+01 -0.140959D+02 -0.755819D+01 -0.138277D+01  0.232711D+01
               111           112           113           114           115 
      1   0.122287D+01 -0.343500D+02 -0.145554D+02  0.955298D+01  0.384006D+02
      2  -0.251435D+01  0.759927D+01  0.536397D+01 -0.523108D+00 -0.181336D+02
      3   0.129149D+01  0.267507D+02  0.919142D+01 -0.902987D+01 -0.202670D+02
      4  -0.675235D+00 -0.102966D+02 -0.223016D+02  0.712558D+01  0.169238D+02
      5  -0.320743D+01 -0.260923D+01  0.496202D+01 -0.641040D+01  0.257420D+02
      6  -0.472785D+01  0.343453D+01 -0.375505D+01  0.510022D+00  0.494168D+01
               116           117           118           119           120 
      1   0.708638D+01  0.271403D+02  0.758065D+01 -0.905235D+01  0.481060D+01
      2  -0.300225D+01 -0.333490D+01  0.270494D+01 -0.977388D-01 -0.138703D+01
      3  -0.408412D+01 -0.238054D+02 -0.102856D+02  0.915009D+01 -0.342356D+01
      4   0.157212D+02  0.704707D+01 -0.202023D+02  0.208541D+02 -0.668140D+00
      5   0.471372D+01  0.116335D+01  0.546331D+01 -0.325855D+00  0.104139D+02
      6  -0.118958D+01 -0.964347D+00 -0.154447D+01  0.585034D+00 -0.942101D+00
               121           122           123           124           125 
      1  -0.172778D+02 -0.229102D+01 -0.239478D+00  0.693910D+01  0.204475D+01
      2   0.338441D+01  0.199528D+02 -0.308421D+01 -0.267339D+01 -0.498006D+01
      3   0.138934D+02 -0.176618D+02  0.332369D+01 -0.426572D+01  0.293531D+01
      4   0.232586D+02 -0.488971D+02  0.742732D+01 -0.291184D+01  0.115695D+02
      5  -0.151303D+01  0.680998D+01 -0.109704D+02  0.118355D+02 -0.767332D+01
      6   0.626726D+00 -0.274375D+01  0.473067D+01 -0.244363D+01  0.647059D+01
               126           127           128           129           130 
      1   0.230231D+01  0.662156D+00  0.601928D+01 -0.861186D+01  0.110553D+02
      2  -0.778725D+00 -0.604853D-01 -0.262934D+01 -0.289205D-01 -0.737009D+01
      3  -0.152359D+01 -0.601670D+00 -0.338994D+01  0.864078D+01 -0.368521D+01
      4  -0.827244D+01  0.298389D+01 -0.490771D+01  0.157165D+01  0.153089D+01
      5   0.358179D+01 -0.976640D+00 -0.601883D+00 -0.481733D+01 -0.103505D+02
      6  -0.271967D+01 -0.278544D+01  0.469777D+01 -0.185495D+01  0.166531D+00
               131           132           133           134           135 
      1  -0.157306D+02  0.907274D+01 -0.395893D+01  0.526122D+01 -0.110421D+02
      2   0.573957D+01  0.398125D+01  0.130974D+01  0.151964D+01 -0.182025D+01
      3   0.999104D+01 -0.130540D+02  0.264919D+01 -0.678086D+01  0.128624D+02
      4   0.286759D+02 -0.156910D+02 -0.758530D+00 -0.109510D+02  0.798197D+01
      5  -0.119594D+02  0.178355D+02  0.272860D+01  0.636328D+01 -0.940024D+01
      6  -0.194338D+02  0.135225D+02  0.395114D+00  0.108932D+02 -0.678223D+01
               136           137           138           139           140 
      1   0.110727D+03 -0.606385D+01 -0.198184D+02 -0.443719D+01  0.572633D+01
      2  -0.664979D+02  0.267987D+01  0.189844D+02  0.126193D+01 -0.367425D+01
      3  -0.442293D+02  0.338398D+01  0.833973D+00  0.317526D+01 -0.205208D+01
      4  -0.136357D+02  0.128637D+02  0.398169D+01  0.140461D+02 -0.127063D+01
      5  -0.638612D+02  0.437360D+01  0.314436D+02  0.240330D+01 -0.666918D+01
      6   0.553045D+01 -0.462544D+01 -0.236873D+01 -0.418787D+01  0.232794D+00
               141           142           143           144           145 
      1  -0.998496D-01 -0.807588D+01 -0.142717D+01  0.774872D+01 -0.106798D+01
      2  -0.172562D-01  0.826040D+01  0.125099D+00 -0.675069D+01 -0.495727D+00
      3   0.117106D+00 -0.184519D+00  0.130207D+01 -0.998031D+00  0.156371D+01
      4  -0.554953D+01 -0.152065D+00 -0.347661D+01 -0.905023D+00 -0.319297D+01
      5  -0.787012D+00  0.167110D+02 -0.235172D+00 -0.727015D+01 -0.211592D+01
      6   0.420444D+01 -0.636971D+00  0.272918D+01  0.109813D+01  0.385931D+01
               146           147           148           149           150 
      1  -0.100069D+02 -0.155722D+02 -0.935832D+01 -0.191697D+02 -0.175182D+02
      2   0.371462D+01  0.109392D+01  0.597084D+01  0.809468D+01 -0.322591D+00
      3   0.629228D+01  0.144783D+02  0.338748D+01  0.110750D+02  0.178408D+02
      4  -0.544233D+01 -0.338848D+01  0.286317D+01 -0.192536D+02 -0.183837D+02
      5  -0.109071D+01 -0.710768D+01  0.802015D+01 -0.145755D+02 -0.214843D+02
      6   0.717155D+01  0.651332D+01 -0.753227D-01  0.183364D+02  0.195401D+02
               151           152           153           154           155 
      1  -0.649505D+01 -0.125839D+02 -0.246298D+02  0.168636D+03  0.359919D+02
      2   0.288656D+01  0.160130D-01 -0.399442D+01 -0.748005D+02 -0.103022D+02
      3   0.360849D+01  0.125679D+02  0.286242D+02 -0.938355D+02 -0.256896D+02
      4   0.212015D+01 -0.140901D+02 -0.145618D+02  0.617588D+02  0.438277D+02
      5   0.511715D+01 -0.125969D+02 -0.236661D+02  0.117256D+02  0.625495D+01
      6   0.278860D+00  0.153693D+02  0.178161D+02  0.436628D+00  0.843404D+00
               156           157           158           159           160 
      1  -0.481399D+01  0.481542D+02  0.337365D+02 -0.467111D+01 -0.796653D+01
      2  -0.117534D+01 -0.103775D+02 -0.217960D+01 -0.109463D+00  0.990990D-01
      3   0.598933D+01 -0.377767D+02 -0.315569D+02  0.478058D+01  0.786743D+01
      4   0.265251D+01  0.616225D+02  0.515265D+02 -0.422095D+01 -0.594171D+01
      5   0.335005D+02  0.857212D+00  0.667457D+00  0.157549D+02  0.289314D+02
      6   0.604623D+01  0.370495D+01  0.339894D+01  0.687002D+01  0.652297D+01
               161           162           163           164           165 
      1  -0.348919D+01  0.160175D+02  0.480857D+02  0.146297D+02  0.118555D+02
      2  -0.984061D+00 -0.969386D+01 -0.310730D+02 -0.540105D+01 -0.886891D+01
      3   0.447325D+01 -0.632364D+01 -0.170128D+02 -0.922861D+01 -0.298663D+01
      4  -0.999710D+01  0.103669D+02  0.257592D+02  0.121851D+02  0.192398D+01
      5   0.956161D+01 -0.829475D+01  0.276881D+02  0.341678D+01  0.193286D+02
      6   0.528133D+01 -0.479830D+00  0.104270D+02  0.179917D+01  0.794277D+00
               166           167           168           169           170 
      1   0.205716D+02 -0.607685D+01 -0.985314D+01 -0.117522D+02 -0.799216D+01
      2  -0.105097D+02  0.316550D+01  0.206583D+01  0.102184D+01  0.266418D+01
      3  -0.100619D+02  0.291135D+01  0.778731D+01  0.107304D+02  0.532799D+01
      4   0.120757D+02  0.748453D+01  0.116508D+02 -0.617251D+01  0.185504D+01
      5   0.107149D+02  0.124569D+02  0.110743D+02  0.143357D+02  0.291772D+01
      6   0.270643D+01  0.699674D+01  0.123510D+02 -0.911632D+00  0.104729D+02
               171           172           173           174           175 
      1  -0.318912D+02 -0.465388D+02 -0.856123D+01  0.102853D+02 -0.208116D+02
      2  -0.156091D+02  0.258865D+02  0.369727D+01  0.369340D+01  0.135495D+02
      3   0.475003D+02  0.206524D+02  0.486396D+01 -0.139787D+02  0.726210D+01
      4   0.902889D+00 -0.206024D+02 -0.872991D+01 -0.168129D+01 -0.102066D+02
      5   0.469993D+02 -0.204428D+02 -0.469661D+01 -0.152974D+02 -0.113264D+02
      6   0.805151D+01 -0.784506D+01 -0.472907D+01 -0.262897D+01 -0.359572D+01
               176           177           178           179           180 
      1  -0.890607D+01  0.270605D+01 -0.257747D+01  0.946879D+00 -0.113581D+02
      2   0.464472D+01  0.311973D+01  0.786405D+01  0.362495D+00  0.290346D+01
      3   0.426135D+01 -0.582578D+01 -0.528659D+01 -0.130937D+01  0.845459D+01
      4  -0.422779D+01  0.198094D+01 -0.493983D+01 -0.214138D+00 -0.369664D+01
      5   0.855384D+00 -0.912935D+01 -0.753600D+01 -0.165592D+01  0.124458D+01
      6  -0.246000D+01  0.235318D+01 -0.242569D+01  0.169215D+01 -0.210987D+01
               181           182           183           184           185 
      1   0.370211D+02  0.519653D+02 -0.113680D+02 -0.346548D+02  0.171118D+02
      2  -0.243433D+02 -0.392756D+02  0.402965D+01  0.241935D+02 -0.203331D+02
      3  -0.126778D+02 -0.126897D+02  0.733830D+01  0.104613D+02  0.322126D+01
      4   0.109396D+02  0.299934D+02 -0.665762D+01  0.993691D+01  0.256405D+02
      5   0.746934D+00 -0.937584D+01  0.142364D+02  0.324554D+01 -0.106528D+02
      6  -0.186228D+01  0.662518D+01 -0.123723D+02 -0.668280D+01  0.862043D+01
               186           187           188           189           190 
      1  -0.235704D+01  0.634149D+01 -0.933533D+01 -0.878629D+00  0.952043D+02
      2   0.408588D+01 -0.124067D+02  0.139646D+02 -0.427888D+01 -0.529473D+02
      3  -0.172884D+01  0.606519D+01 -0.462930D+01  0.515751D+01 -0.422570D+02
      4  -0.108410D+02 -0.742622D+00 -0.135393D+02 -0.200908D+02 -0.122151D+02
      5  -0.665081D+01  0.285563D+02 -0.187514D+02  0.851928D+01  0.602929D+01
      6   0.431785D+01 -0.212841D+02  0.169809D+02 -0.332241D+00 -0.652392D-01
               191           192           193           194           195 
      1  -0.210308D+02 -0.614653D+00 -0.923139D+02 -0.315966D+02  0.153792D+02
      2   0.586614D+01 -0.945826D+00  0.500217D+02  0.382534D+02 -0.160927D+02
      3   0.151646D+02  0.156048D+01  0.422922D+02 -0.665679D+01  0.713435D+00
      4   0.984888D+01 -0.943893D+00 -0.334081D+02 -0.526889D+02  0.975144D+01
      5  -0.994224D+00  0.421039D+01  0.169127D+02  0.883536D+01 -0.661736D+01
      6   0.297866D+01 -0.257762D+01  0.164329D+01 -0.107931D+02 -0.393777D+01
               196           197           198           199           200 
      1   0.166980D+02  0.100102D+02  0.192299D+02 -0.118724D+03 -0.384270D+01
      2  -0.988653D+01 -0.875975D+01 -0.175083D+02  0.566179D+02  0.990912D+01
      3  -0.681151D+01 -0.125045D+01 -0.172159D+01  0.621063D+02 -0.606642D+01
      4   0.148223D+02  0.606107D+01 -0.783622D+01 -0.994214D+01 -0.216275D+02
      5   0.441749D+02 -0.131463D+02  0.160217D+01  0.402099D+01  0.951937D+01
      6  -0.426203D+01  0.746565D+01  0.332367D+01  0.714119D+01 -0.427089D+01
               201           202           203           204           205 
      1   0.808221D+01  0.113755D+03  0.386736D+01 -0.900974D+01 -0.126932D+02
      2  -0.519772D+01 -0.710052D+02 -0.142663D+02  0.835105D+01  0.988613D+01
      3  -0.288449D+01 -0.427499D+02  0.103989D+02  0.658692D+00  0.280702D+01
      4   0.786707D+01  0.135199D+02  0.186946D+02  0.189448D+01  0.948901D+00
      5   0.607098D+01 -0.334717D+01  0.261812D+01  0.116375D+02  0.655756D+01
      6   0.177255D+01  0.365363D+01  0.918584D+01  0.571502D+01  0.247896D+01
               206           207           208           209           210 
      1  -0.505430D+00 -0.114740D+02  0.391038D+02 -0.529583D+01  0.159126D+01
      2   0.338712D+01 -0.592187D+01 -0.212978D+02  0.285503D+01  0.154653D+01
      3  -0.288169D+01  0.173959D+02 -0.178060D+02  0.244080D+01 -0.313779D+01
      4   0.653350D+01  0.181578D+02 -0.162355D+02  0.133213D+02  0.276433D+01
      5   0.212867D+02 -0.847461D+01  0.381734D+00  0.217837D+01  0.233423D+02
      6   0.747687D+01  0.978141D+00  0.173982D+01 -0.104181D+01  0.143819D+01
               211           212           213           214           215 
      1  -0.138760D+01  0.728613D+01  0.139235D+01 -0.310464D+00 -0.701817D+00
      2  -0.153714D+01 -0.951878D+00  0.355341D+01  0.588122D+00  0.165972D+01
      3   0.292475D+01 -0.633425D+01 -0.494576D+01 -0.277659D+00 -0.957902D+00
      4   0.398910D+02 -0.197358D+02  0.326674D+01 -0.417170D+01  0.904251D+00
      5  -0.301158D+01  0.506583D+01  0.130809D+02  0.144897D+02 -0.674033D+01
      6  -0.863650D+00  0.290966D+01  0.994953D+01 -0.241186D+01  0.464148D+01
               216           217           218           219           220 
      1   0.487309D+01 -0.787767D+02  0.225133D+02  0.315088D+01  0.203139D+02
      2  -0.295760D+01  0.435327D+02 -0.114534D+02 -0.989924D+00 -0.851679D+01
      3  -0.191548D+01  0.352440D+02 -0.110598D+02 -0.216095D+01 -0.117971D+02
      4  -0.685879D+01  0.272447D+02  0.180196D+02 -0.677662D+01 -0.206257D+02
      5  -0.309372D+01  0.183828D+01 -0.662570D+01  0.974233D+01 -0.642451D+01
      6  -0.269893D+01 -0.351177D+01 -0.106048D+01  0.251042D+01 -0.383148D+01
               221           222           223           224           225 
      1   0.288516D+01 -0.843444D+01  0.637095D+00 -0.541113D+01  0.132360D+02
      2  -0.361755D+01 -0.550262D+01 -0.603265D+01 -0.359748D+01 -0.463344D+01
      3   0.732390D+00  0.139371D+02  0.539556D+01  0.900861D+01 -0.860252D+01
      4  -0.121724D+02 -0.196481D+02 -0.550903D+01 -0.166966D+02 -0.405636D+02
      5  -0.203254D+02 -0.667064D+02 -0.157561D+02 -0.391642D+02  0.275225D+02
      6  -0.484048D+01 -0.165960D+02 -0.106568D+02 -0.111633D+02  0.827261D+01
               226           227           228           229           230 
      1  -0.923499D+01 -0.188534D+02  0.438535D+01 -0.106316D+02 -0.475856D+02
      2   0.962072D+01  0.200791D+02 -0.316558D+01  0.114801D+02  0.563590D+02
      3  -0.385738D+00 -0.122573D+01 -0.121977D+01 -0.848485D+00 -0.877348D+01
      4   0.421953D+01  0.648634D+01 -0.102161D+01  0.341261D+01 -0.397092D+01
      5  -0.531399D+00 -0.551809D+00  0.115407D+01  0.209648D-01  0.210233D+01
      6  -0.270995D+01 -0.503497D+01  0.393029D+01 -0.290782D+01 -0.133721D+02
               231           232           233           234           235 
      1   0.960385D+01  0.272747D+01  0.990578D+01 -0.255199D+01  0.175478D+02
      2  -0.823651D+01 -0.288914D+01 -0.102708D+02  0.257554D+01  0.170027D+01
      3  -0.136734D+01  0.161670D+00  0.364996D+00 -0.235458D-01 -0.192481D+02
      4   0.954980D+00 -0.470330D+00  0.646659D+00  0.867240D+00 -0.382599D+02
      5  -0.173367D+01  0.225843D+01 -0.938156D-01 -0.191993D+00  0.623648D+01
      6   0.952743D+01  0.902411D-01  0.541688D+01 -0.294216D+01 -0.277776D+01
               236           237           238           239           240 
      1  -0.955190D+01  0.106187D+01 -0.806591D+01 -0.460171D+01  0.416283D+00
      2  -0.773761D+01 -0.154390D-01 -0.130334D+02  0.316134D+02 -0.186433D+01
      3   0.172895D+02 -0.104643D+01  0.210993D+02 -0.270117D+02  0.144804D+01
      4   0.383680D+02 -0.394561D+01  0.443467D+02 -0.612252D+02  0.698840D+01
      5  -0.548047D+01  0.596498D+01 -0.798357D+01  0.952335D+01 -0.793821D+01
      6   0.294789D+01 -0.394113D+01  0.595576D+01 -0.785874D+01  0.762910D+01
               241           242           243           244           245 
      1   0.802375D-01  0.998407D+00 -0.163735D+01  0.172078D+02  0.112486D+02
      2   0.297795D+01 -0.389334D+01  0.215240D+01 -0.678343D+01 -0.359053D+01
      3  -0.305819D+01  0.289493D+01 -0.515058D+00 -0.104244D+02 -0.765811D+01
      4  -0.557851D+01  0.766006D+01 -0.386673D+01  0.202836D+02  0.152008D+02
      5   0.336816D+00 -0.327716D+01  0.190679D+01 -0.449403D+01 -0.295858D+01
      6   0.375431D+00  0.349233D+01 -0.194738D+01 -0.106735D+01 -0.110580D+01
               246           247           248           249           250 
      1  -0.305038D+01  0.155228D+02 -0.108689D+01 -0.583348D+00 -0.403070D+01
      2   0.153418D+01 -0.212265D+01  0.119080D+02 -0.263840D+00  0.162817D+01
      3   0.151619D+01 -0.134001D+02 -0.108211D+02  0.847188D+00  0.240253D+01
      4  -0.361297D+01  0.263064D+02  0.368452D+02 -0.716817D+01 -0.595613D+01
      5   0.293393D+01 -0.505137D+01 -0.575366D+01  0.608082D+01  0.181762D+01
      6   0.118438D+01 -0.233443D+01 -0.399092D+01  0.490195D+01  0.214831D+01
               251           252           253           254           255 
      1  -0.878177D+00 -0.869458D+00 -0.279521D+01 -0.285525D+00 -0.103628D+02
      2  -0.121780D+01  0.158681D+01  0.985252D+00 -0.109837D+00  0.246352D+01
      3   0.209598D+01 -0.717350D+00  0.180995D+01  0.395363D+00  0.789925D+01
      4  -0.780731D+01  0.177356D+01 -0.424578D+01 -0.259437D+01 -0.515526D-01
      5   0.255617D+00 -0.114776D+01 -0.507412D+01  0.325218D+00 -0.803635D+01
      6   0.173157D+01 -0.175938D+01 -0.731476D+00  0.101506D+01 -0.299223D+01
               256           257           258           259           260 
      1   0.656341D+01  0.124615D+01  0.320074D+00 -0.311786D+02 -0.270957D+01
      2  -0.388478D+01  0.301849D+00  0.123561D+01  0.218501D+02  0.290523D+01
      3  -0.267864D+01 -0.154800D+01 -0.155568D+01  0.932850D+01 -0.195668D+00
      4   0.172178D+02  0.173541D+02 -0.159140D+02 -0.177243D+02 -0.169031D+02
      5  -0.117940D+02 -0.145735D+02  0.282668D+02  0.355496D+02  0.234301D+02
      6  -0.411108D+01 -0.653208D+01  0.113863D+02  0.937111D+01  0.101392D+02
               261           262           263           264           265 
      1  -0.203159D+01  0.204749D+03 -0.138649D+02 -0.823082D+01 -0.417001D+02
      2  -0.131755D+02 -0.107844D+03  0.826490D+01  0.528208D+01  0.229549D+02
      3   0.152071D+02 -0.969047D+02  0.559996D+01  0.294874D+01  0.187453D+02
      4   0.256020D+02 -0.449065D+01  0.157354D+02  0.990621D+00  0.195108D+02
      5  -0.665135D+02 -0.121319D+02  0.159276D+01  0.185627D+02  0.320209D+01
      6  -0.157978D+02  0.185925D+01 -0.895037D+00  0.690143D+00 -0.141081D+01
               266           267           268           269           270 
      1   0.176726D+02  0.187229D+01 -0.311985D+01  0.504875D+00  0.140440D+02
      2  -0.852604D+01 -0.943827D+00  0.258193D+01  0.203128D+00 -0.862939D+01
      3  -0.914658D+01 -0.928466D+00  0.537918D+00 -0.708002D+00 -0.541461D+01
      4  -0.949087D+01  0.543991D+00  0.915170D+00  0.156951D+01  0.204995D+01
      5   0.244868D+00 -0.285110D+01  0.216877D+02  0.129496D+01 -0.389896D+01
      6   0.999821D+00  0.143681D+01  0.311132D+00  0.206240D+01 -0.341849D+00
               271           272           273           274           275 
      1   0.490956D+01  0.404486D+01  0.849829D+01  0.222365D+02  0.847616D+01
      2  -0.152613D+01 -0.206866D+01 -0.447683D+01 -0.706193D+01  0.512809D+01
      3  -0.338344D+01 -0.197619D+01 -0.402146D+01 -0.151746D+02 -0.136043D+02
      4   0.177971D+01  0.107929D+01  0.205792D+01  0.344906D+02  0.419111D+02
      5   0.837113D+01  0.115096D+01 -0.415817D+01  0.162006D+02  0.247544D+02
      6   0.165169D+01 -0.242803D+00 -0.205167D+01  0.620873D+01  0.872562D+01
               276           277           278           279 
      1   0.355399D+01  0.332079D+02  0.719931D+01  0.149369D+01
      2   0.289711D+01 -0.149361D+02  0.154539D+00 -0.244638D+01
      3  -0.645110D+01 -0.182718D+02 -0.735385D+01  0.952690D+00
      4   0.251204D+02  0.251833D+02  0.278304D+02  0.268838D+02
      5   0.299419D+02  0.244247D+02  0.261348D+02  0.352000D+02
      6   0.969955D+01  0.868084D+01  0.952987D+01  0.991110D+01

 ----------------------------------------------------------------------

 Electric dipole moment (input orientation):
 (Debye = 10**-18 statcoulomb cm , SI units = C m)
                  (au)            (Debye)         (10**-30 SI)
   Tot        0.240816D+01      0.612094D+01      0.204172D+02
   x          0.203986D+01      0.518480D+01      0.172946D+02
   y          0.124898D+01      0.317459D+01      0.105893D+02
   z          0.279794D+00      0.711167D+00      0.237220D+01

 Dipole polarizability, Alpha (input orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(0;0):
               (au)            (10**-24 esu)      (10**-40 SI)
   iso        0.181956D+03      0.269631D+02      0.300005D+02
   aniso      0.141608D+03      0.209841D+02      0.233480D+02
   xx         0.269967D+03      0.400049D+02      0.445115D+02
   yx        -0.874666D+01     -0.129612D+01     -0.144213D+01
   yy         0.163260D+03      0.241926D+02      0.269179D+02
   zx        -0.992469D+01     -0.147069D+01     -0.163636D+01
   zy        -0.770018D+01     -0.114105D+01     -0.126959D+01
   zz         0.112642D+03      0.166918D+02      0.185721D+02

 Dipole polarizability, Alpha (input orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(-w;w) w=  514.5nm:
                  (au)         (10**-24 esu)      (10**-40 SI)
   iso        0.203979D+03      0.302266D+02      0.336316D+02
   aniso      0.162157D+03      0.240292D+02      0.267360D+02
   xx         0.305334D+03      0.452459D+02      0.503428D+02
   yx        -0.113324D+02     -0.167928D+01     -0.186846D+01
   yy         0.180890D+03      0.268052D+02      0.298248D+02
   zx        -0.102239D+02     -0.151503D+01     -0.168570D+01
   zy        -0.813863D+01     -0.120602D+01     -0.134188D+01
   zz         0.125713D+03      0.186288D+02      0.207273D+02

 ----------------------------------------------------------------------

 Dipole orientation:
     6          0.36125389         -1.41816607          0.38114616
     6          0.33537355          0.10439936          2.60215662
     6         -0.74473635         -0.48473850         -1.85458977
     6         -1.84788188          1.87242791         -1.95451860
     6         -1.85617608          3.37046125          0.25640695
     6         -0.80238746          2.51602034          2.46521111
     6          1.50757576         -3.83826483          0.50840758
     1         -0.70548700         -1.66899112         -3.52681280
     1         -2.71980433          5.22583667          0.19444790
     1         -0.83238018          3.69427354          4.13872995
     6         -3.06978166          2.83128605         -4.35832183
     6         -5.50723755          1.41894889         -5.01119237
     6         -1.26410705          2.87514876         -6.62690359
     1         -3.54284398          4.82613786         -4.06114158
     1         -5.12520359         -0.57863706         -5.34009455
     1         -6.35551079          2.19350511         -6.71679318
     1         -6.84621825          1.57249724         -3.45338823
     8         -1.92144060          2.57213029         -8.77187145
     8          1.17958667          3.40782598         -6.09285575
     1          1.42811583          3.39760480         -4.27866804
     6          2.55994471         -4.69700004          2.69697929
     6          2.53035262         -3.17759881          4.90482844
     6          1.44023797         -0.82133312          4.85845617
     8          3.63768205         -4.24871136          6.95464317
     6          3.69006929         -2.84861559          9.23896650
     1          1.53839465         -5.00695397         -1.17125557
     1          3.43762807         -6.53934371          2.81107885
     1          1.39938037          0.36530291          6.51867992
     1          4.73574033         -1.08085059          9.00807832
     1          4.64842044         -4.03782764         10.61233927
     1          1.77813230         -2.43037751          9.90326749

 Electric dipole moment (dipole orientation):
 (Debye = 10**-18 statcoulomb cm , SI units = C m)
                  (au)            (Debye)         (10**-30 SI)
   Tot        0.240816D+01      0.612094D+01      0.204172D+02
   x          0.000000D+00      0.000000D+00      0.000000D+00
   y          0.000000D+00      0.000000D+00      0.000000D+00
   z          0.240816D+01      0.612094D+01      0.204172D+02

 Dipole polarizability, Alpha (dipole orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(0;0):
               (au)            (10**-24 esu)      (10**-40 SI)
   iso        0.181956D+03      0.269631D+02      0.300005D+02
   aniso      0.141608D+03      0.209841D+02      0.233480D+02
   xx         0.143884D+03      0.213215D+02      0.237233D+02
   yx        -0.390564D+02     -0.578757D+01     -0.643954D+01
   yy         0.173411D+03      0.256968D+02      0.285916D+02
   zx         0.490059D+02      0.726192D+01      0.807998D+01
   zy        -0.301572D+02     -0.446884D+01     -0.497226D+01
   zz         0.228573D+03      0.338710D+02      0.376866D+02

 Dipole polarizability, Alpha (dipole orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(-w;w) w=  514.5nm:
                  (au)         (10**-24 esu)      (10**-40 SI)
   iso        0.203979D+03      0.302266D+02      0.336316D+02
   aniso      0.162157D+03      0.240292D+02      0.267360D+02
   xx         0.161122D+03      0.238758D+02      0.265655D+02
   yx        -0.445065D+02     -0.659518D+01     -0.733813D+01
   yy         0.194331D+03      0.287968D+02      0.320408D+02
   zx         0.556189D+02      0.824187D+01      0.917032D+01
   zy        -0.367060D+02     -0.543927D+01     -0.605201D+01
   zz         0.256485D+03      0.380071D+02      0.422886D+02

 ----------------------------------------------------------------------

 Test job not archived.
 1\1\GINC-CPN-U22-16\Freq\RLC-PBEPBE\Gen\C14H14O3\PIERPA\16-Aug-2021\0\
 \#P LC-PBEPBE/Gen Integral=UltraFineGrid SCF=(NoSymm,MaxCyc=200,Tight)
  Polar=ROA Guess=Read Geom=Check CPHF=RdFreq IOp(1/33=1,3/107=02300000
 00,3/108=0230000000,3/119=1000000000,3/120=1000000000,3/130=-1,3/131=-
 1)\\ROA calculations.\\0,1\C,0.534503,-0.540241,0.250726\C,1.208047,0.
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 \@


 ... THE UNIVERSE IS NOT ONLY QUEERER THAN WE SUPPOSE,
 BUT QUEERER THAN WE CAN SUPPOSE ... 

                                   -- J. B. S. HALDANE
 Job cpu time:       0 days 19 hours 24 minutes  7.6 seconds.
 Elapsed time:       0 days  2 hours 25 minutes 55.8 seconds.
 File lengths (MBytes):  RWF=    749 Int=      0 D2E=      0 Chk=     26 Scr=      2
 Normal termination of Gaussian 16 at Mon Aug 16 23:54:38 2021.
